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

Systemtic Name: dimethyl-[2-[(6-oxidanylidene-5H-benzo[b][1,4]benzothiazepin-3-yl)carbonylamino]ethyl]azanium Openeye Name: dimethyl-[2-[(6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]ethyl]ammonium CAS Name: dimethyl-[2-[[oxo-(6-oxo-5H-benzo[b][1,4]benzothiazepin-3-yl)methyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]ethyl]azanium Traditional Name: 2-[(6-keto-5H-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C18H20N3O2S+ MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C18H19N3O2S/c1-21(2)10-9-19-17(22)12-7-8-16-14(11-12)20-18(23)13-5-3-4-6-15(13)24-16/h3-8,11H,9-10H2,1-2H3,(H,19,22)(H,20,23)/p+1