[(1S)-1-[1-[(4-cyanophenyl)methyl]benzimidazol-2-yl]-3-methylsulfanyl-propyl]azanium

Systemtic Name: [(1S)-1-[1-[(4-cyanophenyl)methyl]benzimidazol-2-yl]-3-methylsulfanyl-propyl]azanium Openeye Name: [(1S)-1-[1-[(4-cyanophenyl)methyl]benzimidazol-2-yl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(1S)-1-[1-[(4-cyanophenyl)methyl]-2-benzimidazolyl]-3-(methylthio)propyl]ammonium IUPAC Name: [(1S)-1-[1-[(4-cyanophenyl)methyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]azanium Traditional Name: [(1S)-1-[1-(4-cyanobenzyl)benzimidazol-2-yl]-3-(methylthio)propyl]ammonium Formula: C19H21N4S+ MolecularWeight: 337.46184

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C#N)[NH3+]

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C#N)[NH3+]

InChI

InChI=1S/C19H20N4S/c1-24-11-10-16(21)19-22-17-4-2-3-5-18(17)23(19)13-15-8-6-14(12-20)7-9-15/h2-9,16H,10-11,13,21H2,1H3/p+1/t16-/m0/s1