11-(1-methylpiperidin-4-ylidene)-6H-benzo[c][1]benzothiepine-9-carboxylic acid hydrochloride

Systemtic Name: 11-(1-methylpiperidin-4-ylidene)-6H-benzo[c][1]benzothiepine-9-carboxylic acid hydrochloride Openeye Name: 11-(1-methyl-4-piperidylidene)-6H-benzo[c][1]benzothiepine-9-carboxylic acid hydrochloride CAS Name: 11-(1-methyl-4-piperidinylidene)-6H-benzo[c][1]benzothiepin-9-carboxylic acid hydrochloride IUPAC Name: 11-(1-methylpiperidin-4-ylidene)-6H-benzo[c][1]benzothiepine-9-carboxylic acid hydrochloride Traditional Name: 11-(1-methyl-4-piperidylidene)-6H-benzo[c][1]benzothiepin-9-carboxylic acid hydrochloride Formula: C21H22ClNO2S MolecularWeight: 387.92288

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=C2C3=CC=CC=C3SCC4=C2C=C(C=C4)C(=O)O)CC1.Cl

Isomeric SMILES

CN1CCC(=C2C3=CC=CC=C3SCC4=C2C=C(C=C4)C(=O)O)CC1.Cl

InChI

InChI=1S/C21H21NO2S.ClH/c1-22-10-8-14(9-11-22)20-17-4-2-3-5-19(17)25-13-16-7-6-15(21(23)24)12-18(16)20;/h2-7,12H,8-11,13H2,1H3,(H,23,24);1H