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

Systemtic Name: (4-methoxyphenyl)methyl-methyl-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-methoxyphenyl)methyl-methyl-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethyl]ammonium CAS Name: (4-methoxyphenyl)methyl-methyl-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]ammonium IUPAC Name: (4-methoxyphenyl)methyl-methyl-[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]-methyl-p-anisyl-ammonium Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C[NH+](C)CC3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)C[NH+](C)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O2S/c1-16-12-13-23(19-6-4-5-7-20(19)26-16)21(24)15-22(2)14-17-8-10-18(25-3)11-9-17/h4-11,16H,12-15H2,1-3H3/p+1/t16-/m0/s1