2-morpholin-4-ylethyl 1-chloranyl-4-methyl-isoquinoline-3-carboxylate hydrochloride

Systemtic Name: 2-morpholin-4-ylethyl 1-chloranyl-4-methyl-isoquinoline-3-carboxylate hydrochloride Openeye Name: 2-morpholinoethyl 1-chloro-4-methyl-isoquinoline-3-carboxylate hydrochloride CAS Name: 1-chloro-4-methyl-3-isoquinolinecarboxylic acid 2-(4-morpholinyl)ethyl ester hydrochloride IUPAC Name: 2-morpholin-4-ylethyl 1-chloro-4-methylisoquinoline-3-carboxylate hydrochloride Traditional Name: 1-chloro-4-methyl-isoquinoline-3-carboxylic acid 2-morpholinoethyl ester hydrochloride Formula: C17H20Cl2N2O3 MolecularWeight: 371.2583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C2=CC=CC=C12)Cl)C(=O)OCCN3CCOCC3.Cl

Isomeric SMILES

CC1=C(N=C(C2=CC=CC=C12)Cl)C(=O)OCCN3CCOCC3.Cl

InChI

InChI=1S/C17H19ClN2O3.ClH/c1-12-13-4-2-3-5-14(13)16(18)19-15(12)17(21)23-11-8-20-6-9-22-10-7-20;/h2-5H,6-11H2,1H3;1H