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

Systemtic Name: 2-[3-acetyloxy-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-[2-[2,3-bis(chloranyl)phenyl]ethyl]-dimethyl-azanium iodide Openeye Name: 2-[3-acetoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-[2-(2,3-dichlorophenyl)ethyl]-dimethyl-ammonium iodide CAS Name: 2-[3-acetyloxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-[2-(2,3-dichlorophenyl)ethyl]-dimethylammonium iodide IUPAC Name: 2-[3-acetyloxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-[2-(2,3-dichlorophenyl)ethyl]-dimethylazanium iodide Traditional Name: 2-[3-acetoxy-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-[2-(2,3-dichlorophenyl)ethyl]-dimethyl-ammonium iodide Formula: C30H33Cl2IN2O4S MolecularWeight: 715.46949

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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