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

Systemtic Name: (diphenylmethyl)-methyl-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: benzhydryl-methyl-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethyl]ammonium CAS Name: (diphenylmethyl)-methyl-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]ammonium IUPAC Name: benzhydryl-methyl-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]azanium Traditional Name: benzhydryl-[2-keto-2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethyl]-methyl-ammonium Formula: C26H29N2OS+ MolecularWeight: 417.58626

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C[NH+](C)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)C[NH+](C)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2OS/c1-20-17-18-28(23-15-9-10-16-24(23)30-20)25(29)19-27(2)26(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-16,20,26H,17-19H2,1-2H3/p+1/t20-/m0/s1