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

Systemtic Name: [1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazol-4-yl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazol-4-yl]methyl]ammonium CAS Name: [1-(2-cyanoethyl)-3-(3-nitrophenyl)-4-pyrazolyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazol-4-yl]methyl]azanium Traditional Name: benzyl-[[1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazol-4-yl]methyl]ammonium Formula: C20H20N5O2+ MolecularWeight: 362.4051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O2/c21-10-5-11-24-15-18(14-22-13-16-6-2-1-3-7-16)20(23-24)17-8-4-9-19(12-17)25(26)27/h1-4,6-9,12,15,22H,5,11,13-14H2/p+1