4-(1H-benzimidazol-2-yl)-5-cyclohexyl-2-methyl-1H-pyrazol-2-ium-3-amine

Systemtic Name: 4-(1H-benzimidazol-2-yl)-5-cyclohexyl-2-methyl-1H-pyrazol-2-ium-3-amine Openeye Name: 4-(1H-benzimidazol-2-yl)-5-cyclohexyl-2-methyl-1H-pyrazol-2-ium-3-amine CAS Name: 4-(1H-benzimidazol-2-yl)-5-cyclohexyl-2-methyl-1H-pyrazol-2-ium-3-amine IUPAC Name: 4-(1H-benzimidazol-2-yl)-5-cyclohexyl-2-methyl-1H-pyrazol-2-ium-3-amine Traditional Name: [4-(1H-benzimidazol-2-yl)-5-cyclohexyl-2-methyl-1H-pyrazol-2-ium-3-yl]amine Formula: C17H22N5+ MolecularWeight: 296.39008

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(=C(N1)C2CCCCC2)C3=NC4=CC=CC=C4N3)N

Isomeric SMILES

C[N+]1=C(C(=C(N1)C2CCCCC2)C3=NC4=CC=CC=C4N3)N

InChI

InChI=1S/C17H21N5/c1-22-16(18)14(15(21-22)11-7-3-2-4-8-11)17-19-12-9-5-6-10-13(12)20-17/h5-6,9-11H,2-4,7-8H2,1H3,(H3,18,19,20,21)/p+1