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

Systemtic Name: (2-ethoxyphenyl)-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: (2-ethoxyphenyl)-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethyl]ammonium CAS Name: (2-ethoxyphenyl)-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]ammonium IUPAC Name: (2-ethoxyphenyl)-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethyl]-o-phenetyl-ammonium Formula: C20H25N2O2S+ MolecularWeight: 357.4897

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1[NH2+]CC(=O)N2CCC(SC3=CC=CC=C32)C

Isomeric SMILES

CCOC1=CC=CC=C1[NH2+]CC(=O)N2CC[C@@H](SC3=CC=CC=C32)C

InChI

InChI=1S/C20H24N2O2S/c1-3-24-18-10-6-4-8-16(18)21-14-20(23)22-13-12-15(2)25-19-11-7-5-9-17(19)22/h4-11,15,21H,3,12-14H2,1-2H3/p+1/t15-/m0/s1