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

Systemtic Name: 2-[(6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepin-3-yl)carbonylamino]ethyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-[2-[(6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]ethyl]-isopropyl-ammonium CAS Name: 2-[[(6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepin-3-yl)-oxomethyl]amino]ethyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[2-[(6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]ethyl]-propan-2-ylazanium Traditional Name: benzyl-[2-[(6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]ethyl]-isopropyl-ammonium Formula: C29H34N3OS+ MolecularWeight: 472.66476

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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+](CC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC=C1C2=C(C=CC(=C2)C)SC3=C(N1)C=C(C=C3)C(=O)NCC[NH+](CC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C29H33N3OS/c1-5-25-24-17-21(4)11-13-27(24)34-28-14-12-23(18-26(28)31-25)29(33)30-15-16-32(20(2)3)19-22-9-7-6-8-10-22/h5-14,17-18,20,31H,15-16,19H2,1-4H3,(H,30,33)/p+1