methyl 3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-thiophen-2-yl-isoquinoline-6-carboxylate hydrochloride

Systemtic Name: methyl 3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-thiophen-2-yl-isoquinoline-6-carboxylate hydrochloride Openeye Name: methyl 3-(aminomethyl)-2-isobutyl-1-oxo-4-(2-thienyl)isoquinoline-6-carboxylate hydrochloride CAS Name: 3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-thiophen-2-yl-6-isoquinolinecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-thiophen-2-ylisoquinoline-6-carboxylate hydrochloride Traditional Name: 3-(aminomethyl)-2-isobutyl-1-keto-4-(2-thienyl)isoquinoline-6-carboxylic acid methyl ester hydrochloride Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C(=O)OC)C3=CC=CS3)CN.Cl

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C(=O)OC)C3=CC=CS3)CN.Cl

InChI

InChI=1S/C20H22N2O3S.ClH/c1-12(2)11-22-16(10-21)18(17-5-4-8-26-17)15-9-13(20(24)25-3)6-7-14(15)19(22)23;/h4-9,12H,10-11,21H2,1-3H3;1H