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

Systemtic Name: 2-[(2S,3S)-2-(4-methoxyphenyl)-3-oxidanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-methyl-azanium Openeye Name: 2-[(2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-methyl-ammonium CAS Name: 2-[(2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-methylammonium IUPAC Name: 2-[(2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-methylazanium Traditional Name: 2-[(2S,3S)-3-hydroxy-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-methyl-ammonium Formula: C19H23N2O3S+ MolecularWeight: 359.46252

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCN1C2=CC=CC=C2SC(C(C1=O)O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[NH2+]CCN1C2=CC=CC=C2S[C@H]([C@H](C1=O)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H22N2O3S/c1-20-11-12-21-15-5-3-4-6-16(15)25-18(17(22)19(21)23)13-7-9-14(24-2)10-8-13/h3-10,17-18,20,22H,11-12H2,1-2H3/p+1/t17-,18+/m1/s1