2-[(2R,3R)-2-(4-methoxyphenyl)-3-oxidanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2R,3R)-2-(4-methoxyphenyl)-3-oxidanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2R,3R)-3-hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2R,3R)-3-hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2R,3R)-3-hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethylazanium Traditional Name: 2-[(2R,3R)-3-hydroxy-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethyl-ammonium Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C2=CC=CC=C2SC(C(C1=O)O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+](C)CCN1C2=CC=CC=C2S[C@@H]([C@@H](C1=O)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H24N2O3S/c1-21(2)12-13-22-16-6-4-5-7-17(16)26-19(18(23)20(22)24)14-8-10-15(25-3)11-9-14/h4-11,18-19,23H,12-13H2,1-3H3/p+1/t18-,19+/m0/s1