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

Systemtic Name: 2-[(2S,3R)-3-acetyloxy-2-(4-hydroxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S,3R)-3-acetoxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S,3R)-3-acetyloxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S,3R)-3-acetyloxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethylazanium Traditional Name: 2-[(2S,3R)-3-acetoxy-2-(4-hydroxyphenyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethyl-ammonium Formula: C21H25N2O4S+ MolecularWeight: 401.4992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CC[NH+](C)C)C3=CC=C(C=C3)O

Isomeric SMILES

CC(=O)O[C@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CC[NH+](C)C)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H24N2O4S/c1-14(24)27-19-20(15-8-10-16(25)11-9-15)28-18-7-5-4-6-17(18)23(21(19)26)13-12-22(2)3/h4-11,19-20,25H,12-13H2,1-3H3/p+1/t19-,20-/m0/s1