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

Systemtic Name: 2-[3-acetyloxy-2-(4-methoxyphenyl)-2,3-dimethyl-4-oxidanylidene-1,5-benzothiazepin-5-yl]ethyl-trimethyl-azanium Openeye Name: 2-[3-acetoxy-2-(4-methoxyphenyl)-2,3-dimethyl-4-oxo-1,5-benzothiazepin-5-yl]ethyl-trimethyl-ammonium CAS Name: 2-[3-acetyloxy-2-(4-methoxyphenyl)-2,3-dimethyl-4-oxo-1,5-benzothiazepin-5-yl]ethyl-trimethylammonium IUPAC Name: 2-[3-acetyloxy-2-(4-methoxyphenyl)-2,3-dimethyl-4-oxo-1,5-benzothiazepin-5-yl]ethyl-trimethylazanium Traditional Name: 2-[3-acetoxy-4-keto-2-(4-methoxyphenyl)-2,3-dimethyl-1,5-benzothiazepin-5-yl]ethyl-trimethyl-ammonium Formula: C25H33N2O4S+ MolecularWeight: 457.60552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(C(=O)N(C2=CC=CC=C2SC1(C)C3=CC=C(C=C3)OC)CC[N+](C)(C)C)C

Isomeric SMILES

CC(=O)OC1(C(=O)N(C2=CC=CC=C2SC1(C)C3=CC=C(C=C3)OC)CC[N+](C)(C)C)C

InChI

InChI=1S/C25H33N2O4S/c1-18(28)31-24(2)23(29)26(16-17-27(4,5)6)21-10-8-9-11-22(21)32-25(24,3)19-12-14-20(30-7)15-13-19/h8-15H,16-17H2,1-7H3/q+1