(4-cyano-4-phenyl-cyclohexyl)-[3-(3,5-dimethylpyrazol-1-yl)propyl]azanium

Systemtic Name: (4-cyano-4-phenyl-cyclohexyl)-[3-(3,5-dimethylpyrazol-1-yl)propyl]azanium Openeye Name: (4-cyano-4-phenyl-cyclohexyl)-[3-(3,5-dimethylpyrazol-1-yl)propyl]ammonium CAS Name: (4-cyano-4-phenylcyclohexyl)-[3-(3,5-dimethyl-1-pyrazolyl)propyl]ammonium IUPAC Name: (4-cyano-4-phenylcyclohexyl)-[3-(3,5-dimethylpyrazol-1-yl)propyl]azanium Traditional Name: (4-cyano-4-phenyl-cyclohexyl)-[3-(3,5-dimethylpyrazol-1-yl)propyl]ammonium Formula: C21H29N4+ MolecularWeight: 337.48176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC[NH2+]C2CCC(CC2)(C#N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1CCC[NH2+]C2CCC(CC2)(C#N)C3=CC=CC=C3)C

InChI

InChI=1S/C21H28N4/c1-17-15-18(2)25(24-17)14-6-13-23-20-9-11-21(16-22,12-10-20)19-7-4-3-5-8-19/h3-5,7-8,15,20,23H,6,9-14H2,1-2H3/p+1