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

Systemtic Name: [1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyl-phenethyl-azanium Openeye Name: [1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyl-phenethyl-ammonium CAS Name: [1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methyl-phenethylammonium IUPAC Name: [1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methyl-phenethylazanium Traditional Name: [1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyl-phenethyl-ammonium Formula: C21H23N4+ MolecularWeight: 331.43412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4/c22-13-7-15-25-17-20(21(24-25)19-10-5-2-6-11-19)16-23-14-12-18-8-3-1-4-9-18/h1-6,8-11,17,23H,7,12,14-16H2/p+1