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

Systemtic Name: 2-[3-acetyloxy-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-[2-(3,4-dimethoxyphenyl)ethyl]-dimethyl-azanium; methanesulfonate Openeye Name: 2-[3-acetoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-[2-(3,4-dimethoxyphenyl)ethyl]-dimethyl-ammonium; methanesulfonate CAS Name: 2-[3-acetyloxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-[2-(3,4-dimethoxyphenyl)ethyl]-dimethylammonium; methanesulfonate IUPAC Name: 2-[3-acetyloxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-[2-(3,4-dimethoxyphenyl)ethyl]-dimethylazanium; methanesulfonate Traditional Name: 2-[3-acetoxy-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-homoveratryl-dimethyl-ammonium mesylate Formula: C33H42N2O9S2 MolecularWeight: 674.82458

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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)OC)OC)C4=CC=C(C=C4)OC.CS(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C32H39N2O6S.CH4O3S/c1-22(35)40-30-31(24-12-14-25(37-4)15-13-24)41-29-10-8-7-9-26(29)33(32(30)36)18-20-34(2,3)19-17-23-11-16-27(38-5)28(21-23)39-6;1-5(2,3)4/h7-16,21,30-31H,17-20H2,1-6H3;1H3,(H,2,3,4)/q+1;/p-1