3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, 1,1-dimethylethyl ester, hydrochloride (1:1), (3S)-

CAS Registry Number®

82586-60-5
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CAS Name

3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, 1,1-dimethylethyl ester, hydrochloride (1:1), (3S)-

Molecular Formula

C14H19NO2.ClH

Cite this Page

3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, 1,1-dimethylethyl ester, hydrochloride (1:1), (3S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82586-60-5 (retrieved 2024-09-09) (CAS RN: 82586-60-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H19NO2.ClH/c1-14(2,3)17-13(16)12-8-10-6-4-5-7-11(10)9-15-12;/h4-7,12,15H,8-9H2,1-3H3;1H/t12-;/m0./s1

InChIKey

InChIKey=NNKSEUBQDFHGAC-YDALLXLXSA-N

SMILES

C(OC(C)(C)C)(=O)[C@@H]1CC=2C(CN1)=CC=CC2.Cl

Canonical SMILES

Cl.O=C(OC(C)(C)C)C1NCC=2C=CC=CC2C1

Other Names for this Substance

  • 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, 1,1-dimethylethyl ester, hydrochloride (1:1), (3S)-
  • 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, 1,1-dimethylethyl ester, hydrochloride, (S)-
  • (S)-tert-Butyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride