dimethyl-[2-(3-methylphenyl)ethyl]-[2-(4-oxidanylidene-1,5-benzothiazepin-5-yl)ethyl]azanium

Systemtic Name: dimethyl-[2-(3-methylphenyl)ethyl]-[2-(4-oxidanylidene-1,5-benzothiazepin-5-yl)ethyl]azanium Openeye Name: dimethyl-[2-(m-tolyl)ethyl]-[2-(4-oxo-1,5-benzothiazepin-5-yl)ethyl]ammonium CAS Name: dimethyl-[2-(3-methylphenyl)ethyl]-[2-(4-oxo-1,5-benzothiazepin-5-yl)ethyl]ammonium IUPAC Name: dimethyl-[2-(3-methylphenyl)ethyl]-[2-(4-oxo-1,5-benzothiazepin-5-yl)ethyl]azanium Traditional Name: 2-(4-keto-1,5-benzothiazepin-5-yl)ethyl-dimethyl-[2-(m-tolyl)ethyl]ammonium Formula: C22H27N2OS+ MolecularWeight: 367.52758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC[N+](C)(C)CCN2C(=O)C=CSC3=CC=CC=C32

Isomeric SMILES

CC1=CC(=CC=C1)CC[N+](C)(C)CCN2C(=O)C=CSC3=CC=CC=C32

InChI

InChI=1S/C22H27N2OS/c1-18-7-6-8-19(17-18)11-14-24(2,3)15-13-23-20-9-4-5-10-21(20)26-16-12-22(23)25/h4-10,12,16-17H,11,13-15H2,1-3H3/q+1