[(2S,3S)-3-acetyloxy-2-(4-ethoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]-ethyl-dimethyl-azanium iodide

Systemtic Name: [(2S,3S)-3-acetyloxy-2-(4-ethoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]-ethyl-dimethyl-azanium iodide Openeye Name: [(2S,3S)-3-acetoxy-2-(4-ethoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-ethyl-dimethyl-ammonium iodide CAS Name: [(2S,3S)-3-acetyloxy-2-(4-ethoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-ethyl-dimethylammonium iodide IUPAC Name: [(2S,3S)-3-acetyloxy-2-(4-ethoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-ethyl-dimethylazanium iodide Traditional Name: [(2S,3S)-3-acetoxy-4-keto-2-p-phenetyl-2,3-dihydro-1,5-benzothiazepin-5-yl]-ethyl-dimethyl-ammonium iodide Formula: C23H29IN2O4S MolecularWeight: 556.45683

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(C)N1C2=CC=CC=C2SC(C(C1=O)OC(=O)C)C3=CC=C(C=C3)OCC.[I-]

Isomeric SMILES

CC[N+](C)(C)N1C2=CC=CC=C2S[C@H]([C@H](C1=O)OC(=O)C)C3=CC=C(C=C3)OCC.[I-]

InChI

InChI=1S/C23H29N2O4S.HI/c1-6-25(4,5)24-19-10-8-9-11-20(19)30-22(21(23(24)27)29-16(3)26)17-12-14-18(15-13-17)28-7-2;/h8-15,21-22H,6-7H2,1-5H3;1H/q+1;/p-1/t21-,22+;/m1./s1