3-(benzimidazol-1-yl)propyl-[[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyl]azanium

Systemtic Name: 3-(benzimidazol-1-yl)propyl-[[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyl]azanium Openeye Name: 3-(benzimidazol-1-yl)propyl-[[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyl]ammonium CAS Name: 3-(1-benzimidazolyl)propyl-[[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methyl]ammonium IUPAC Name: 3-(benzimidazol-1-yl)propyl-[[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methyl]azanium Traditional Name: 3-(benzimidazol-1-yl)propyl-[[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyl]ammonium Formula: C23H25N6+ MolecularWeight: 385.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C[NH2+]CCCN3C=NC4=CC=CC=C43)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C[NH2+]CCCN3C=NC4=CC=CC=C43)CCC#N

InChI

InChI=1S/C23H24N6/c24-12-6-15-29-17-20(23(27-29)19-8-2-1-3-9-19)16-25-13-7-14-28-18-26-21-10-4-5-11-22(21)28/h1-5,8-11,17-18,25H,6-7,13-16H2/p+1