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

Systemtic Name: [1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyl-(3-pyridylmethyl)ammonium CAS Name: [1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyl-(3-pyridylmethyl)ammonium Formula: C19H20N5+ MolecularWeight: 318.3956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C[NH2+]CC3=CN=CC=C3)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C[NH2+]CC3=CN=CC=C3)CCC#N

InChI

InChI=1S/C19H19N5/c20-9-5-11-24-15-18(14-22-13-16-6-4-10-21-12-16)19(23-24)17-7-2-1-3-8-17/h1-4,6-8,10,12,15,22H,5,11,13-14H2/p+1