3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl-(4-cyano-4-phenyl-cyclohexyl)azanium

Systemtic Name: 3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl-(4-cyano-4-phenyl-cyclohexyl)azanium Openeye Name: 3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-(4-cyano-4-phenyl-cyclohexyl)ammonium CAS Name: 3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-(4-cyano-4-phenylcyclohexyl)ammonium IUPAC Name: 3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-(4-cyano-4-phenylcyclohexyl)azanium Traditional Name: 3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-(4-cyano-4-phenyl-cyclohexyl)ammonium Formula: C20H25N6+ MolecularWeight: 349.4527

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1[NH2+]CCCC2=C(C(=NN2)N)C#N)(C#N)C3=CC=CC=C3

Isomeric SMILES

C1CC(CCC1[NH2+]CCCC2=C(C(=NN2)N)C#N)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H24N6/c21-13-17-18(25-26-19(17)23)7-4-12-24-16-8-10-20(14-22,11-9-16)15-5-2-1-3-6-15/h1-3,5-6,16,24H,4,7-12H2,(H3,23,25,26)/p+1