2-[3-acetyloxy-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-[2-(3,4-dichlorophenyl)ethyl]-dimethyl-azanium

Systemtic Name: 2-[3-acetyloxy-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-[2-(3,4-dichlorophenyl)ethyl]-dimethyl-azanium Openeye Name: 2-[3-acetoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-[2-(3,4-dichlorophenyl)ethyl]-dimethyl-ammonium CAS Name: 2-[3-acetyloxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-[2-(3,4-dichlorophenyl)ethyl]-dimethylammonium IUPAC Name: 2-[3-acetyloxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-[2-(3,4-dichlorophenyl)ethyl]-dimethylazanium Traditional Name: 2-[3-acetoxy-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-[2-(3,4-dichlorophenyl)ethyl]-dimethyl-ammonium Formula: C30H33Cl2N2O4S+ MolecularWeight: 588.56502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CC[N+](C)(C)CCC3=CC(=C(C=C3)Cl)Cl)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CC[N+](C)(C)CCC3=CC(=C(C=C3)Cl)Cl)C4=CC=C(C=C4)OC

InChI

InChI=1S/C30H33Cl2N2O4S/c1-20(35)38-28-29(22-10-12-23(37-4)13-11-22)39-27-8-6-5-7-26(27)33(30(28)36)16-18-34(2,3)17-15-21-9-14-24(31)25(32)19-21/h5-14,19,28-29H,15-18H2,1-4H3/q+1