dimethyl-[2-[(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)carbonylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)carbonylamino]ethyl]azanium Openeye Name: dimethyl-[2-[(5-methyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]ethyl]ammonium CAS Name: dimethyl-[2-[[(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)-oxomethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(5-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carbonyl)amino]ethyl]azanium Traditional Name: 2-[(6-keto-5-methyl-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C19H22N3O2S+ MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(=O)NCC[NH+](C)C)SC3=CC=CC=C3C1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)NCC[NH+](C)C)SC3=CC=CC=C3C1=O

InChI

InChI=1S/C19H21N3O2S/c1-21(2)11-10-20-18(23)13-8-9-17-15(12-13)22(3)19(24)14-6-4-5-7-16(14)25-17/h4-9,12H,10-11H2,1-3H3,(H,20,23)/p+1