4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium

Systemtic Name: 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium Openeye Name: 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium CAS Name: 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium IUPAC Name: 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium Traditional Name: 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(4-nitrobenzyl)piperidin-1-ium Formula: C21H22ClN4O2+ MolecularWeight: 397.87798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC(=NN2)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C2=CC(=NN2)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN4O2/c22-18-5-3-16(4-6-18)20-13-21(24-23-20)17-9-11-25(12-10-17)14-15-1-7-19(8-2-15)26(27)28/h1-8,13,17H,9-12,14H2,(H,23,24)/p+1