dimethyl-[(1S)-2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-1-phenylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetyl]amino]-1-phenyl-ethyl]ammonium Formula: C20H25N4OS+ MolecularWeight: 369.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCC(C3=CC=CC=C3)[NH+](C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC[C@H](C3=CC=CC=C3)[NH+](C)C

InChI

InChI=1S/C20H24N4OS/c1-14-9-10-16-17(11-14)23-20(22-16)26-13-19(25)21-12-18(24(2)3)15-7-5-4-6-8-15/h4-11,18H,12-13H2,1-3H3,(H,21,25)(H,22,23)/p+1/t18-/m1/s1