2-[(6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepin-3-yl)carbonylamino]ethyl-methyl-phenethyl-azanium

Systemtic Name: 2-[(6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepin-3-yl)carbonylamino]ethyl-methyl-phenethyl-azanium Openeye Name: 2-[(6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]ethyl-methyl-phenethyl-ammonium CAS Name: 2-[[(6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepin-3-yl)-oxomethyl]amino]ethyl-methyl-phenethylammonium IUPAC Name: 2-[(6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]ethyl-methyl-phenethylazanium Traditional Name: 2-[(6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]ethyl-methyl-phenethyl-ammonium Formula: C28H32N3OS+ MolecularWeight: 458.63818

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Descriptors Computed from Structure

Canonical SMILES:

CC=C1C2=C(C=CC(=C2)C)SC3=C(N1)C=C(C=C3)C(=O)NCC[NH+](C)CCC4=CC=CC=C4

Isomeric SMILES

CC=C1C2=C(C=CC(=C2)C)SC3=C(N1)C=C(C=C3)C(=O)NCC[NH+](C)CCC4=CC=CC=C4

InChI

InChI=1S/C28H31N3OS/c1-4-24-23-18-20(2)10-12-26(23)33-27-13-11-22(19-25(27)30-24)28(32)29-15-17-31(3)16-14-21-8-6-5-7-9-21/h4-13,18-19,30H,14-17H2,1-3H3,(H,29,32)/p+1