3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, phenylmethyl ester, (3S)-, 4-methylbenzenesulfonate (1:1)

CAS Registry Number®

77497-97-3

CAS Name

3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, phenylmethyl ester, (3S)-, 4-methylbenzenesulfonate (1:1)

Molecular Formula

C17H17NO2.C7H8O3S

Cite this Page

3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, phenylmethyl ester, (3S)-, 4-methylbenzenesulfonate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77497-97-3 (retrieved 2024-11-22) (CAS RN: 77497-97-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H17NO2.C7H8O3S/c19-17(20-12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16;1-6-2-4-7(5-3-6)11(8,9)10/h1-9,16,18H,10-12H2;2-5H,1H3,(H,8,9,10)/t16-;/m0./s1

InChIKey

InChIKey=PSMBIFNNFMRIMV-NTISSMGPSA-N

SMILES

C(OCC1=CC=CC=C1)(=O)[C@@H]2CC=3C(CN2)=CC=CC3.S(=O)(=O)(O)C1=CC=C(C)C=C1

Canonical SMILES

O=C(OCC=1C=CC=CC1)C2NCC=3C=CC=CC3C2.O=S(=O)(O)C1=CC=C(C=C1)C

Other Names for this Substance

  • 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, phenylmethyl ester, (3S)-, 4-methylbenzenesulfonate (1:1)
  • 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, phenylmethyl ester, (S)-, 4-methylbenzenesulfonate
  • 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, phenylmethyl ester, (3S)-, 4-methylbenzenesulfonate

CAS INSIGHTSTM
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