butyl-[3-[[5-[(3-chlorophenyl)methyl]-6,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepin-3-yl]carbonylamino]propyl]-methyl-azanium

Systemtic Name: butyl-[3-[[5-[(3-chlorophenyl)methyl]-6,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepin-3-yl]carbonylamino]propyl]-methyl-azanium Openeye Name: butyl-[3-[[5-[(3-chlorophenyl)methyl]-6,11-dioxo-benzo[b][1,4]benzothiazepine-3-carbonyl]amino]propyl]-methyl-ammonium CAS Name: butyl-[3-[[[5-[(3-chlorophenyl)methyl]-6,11-dioxo-3-benzo[b][1,4]benzothiazepinyl]-oxomethyl]amino]propyl]-methylammonium IUPAC Name: butyl-[3-[[5-[(3-chlorophenyl)methyl]-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carbonyl]amino]propyl]-methylazanium Traditional Name: butyl-[3-[[5-(3-chlorobenzyl)-6,11-diketo-benzo[b][1,4]benzothiazepine-3-carbonyl]amino]propyl]-methyl-ammonium Formula: C29H33ClN3O3S+ MolecularWeight: 539.10862

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CCCNC(=O)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3C(=O)N2CC4=CC(=CC=C4)Cl

Isomeric SMILES

CCCC[NH+](C)CCCNC(=O)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3C(=O)N2CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C29H32ClN3O3S/c1-3-4-16-32(2)17-8-15-31-28(34)22-13-14-27-25(19-22)33(20-21-9-7-10-23(30)18-21)29(35)24-11-5-6-12-26(24)37(27)36/h5-7,9-14,18-19H,3-4,8,15-17,20H2,1-2H3,(H,31,34)/p+1