[(1S)-1-[1-[(2-cyanophenyl)methyl]-5,6-dimethyl-benzimidazol-2-yl]propyl]azanium

Systemtic Name: [(1S)-1-[1-[(2-cyanophenyl)methyl]-5,6-dimethyl-benzimidazol-2-yl]propyl]azanium Openeye Name: [(1S)-1-[1-[(2-cyanophenyl)methyl]-5,6-dimethyl-benzimidazol-2-yl]propyl]ammonium CAS Name: [(1S)-1-[1-[(2-cyanophenyl)methyl]-5,6-dimethyl-2-benzimidazolyl]propyl]ammonium IUPAC Name: [(1S)-1-[1-[(2-cyanophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]propyl]azanium Traditional Name: [(1S)-1-[1-(2-cyanobenzyl)-5,6-dimethyl-benzimidazol-2-yl]propyl]ammonium Formula: C20H23N4+ MolecularWeight: 319.42342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(N1CC3=CC=CC=C3C#N)C=C(C(=C2)C)C)[NH3+]

Isomeric SMILES

CC[C@@H](C1=NC2=C(N1CC3=CC=CC=C3C#N)C=C(C(=C2)C)C)[NH3+]

InChI

InChI=1S/C20H22N4/c1-4-17(22)20-23-18-9-13(2)14(3)10-19(18)24(20)12-16-8-6-5-7-15(16)11-21/h5-10,17H,4,12,22H2,1-3H3/p+1/t17-/m0/s1