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

Systemtic Name: [(1S)-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-3-methylsulfanyl-propyl]azanium Openeye Name: [(1S)-3-methylsulfanyl-1-[1-(p-tolylmethyl)benzimidazol-2-yl]propyl]ammonium CAS Name: [(1S)-1-[1-[(4-methylphenyl)methyl]-2-benzimidazolyl]-3-(methylthio)propyl]ammonium IUPAC Name: [(1S)-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]azanium Traditional Name: [(1S)-1-[1-(4-methylbenzyl)benzimidazol-2-yl]-3-(methylthio)propyl]ammonium Formula: C19H24N3S+ MolecularWeight: 326.47896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2C(CCSC)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2[C@H](CCSC)[NH3+]

InChI

InChI=1S/C19H23N3S/c1-14-7-9-15(10-8-14)13-22-18-6-4-3-5-17(18)21-19(22)16(20)11-12-23-2/h3-10,16H,11-13,20H2,1-2H3/p+1/t16-/m0/s1