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

Systemtic Name: [3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methyl]ammonium CAS Name: [3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methyl]azanium Traditional Name: benzyl-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methyl]ammonium Formula: C23H21N4O2+ MolecularWeight: 385.43844

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-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]CC2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H20N4O2/c28-27(29)22-13-7-10-19(14-22)23-20(16-24-15-18-8-3-1-4-9-18)17-26(25-23)21-11-5-2-6-12-21/h1-14,17,24H,15-16H2/p+1