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

Systemtic Name: [1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyl]ammonium CAS Name: [1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methyl]azanium Traditional Name: benzyl-[[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyl]ammonium Formula: C20H21N4+ MolecularWeight: 317.40754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]CC2=CN(N=C2C3=CC=CC=C3)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]CC2=CN(N=C2C3=CC=CC=C3)CCC#N

InChI

InChI=1S/C20H20N4/c21-12-7-13-24-16-19(15-22-14-17-8-3-1-4-9-17)20(23-24)18-10-5-2-6-11-18/h1-6,8-11,16,22H,7,13-15H2/p+1