1-[(4-nitrophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[(4-nitrophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium Openeye Name: 1-[(4-nitrophenyl)methyl]-4-(3-pyridylmethyl)piperazin-4-ium CAS Name: 1-[(4-nitrophenyl)methyl]-4-(3-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-[(4-nitrophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium Traditional Name: 1-(4-nitrobenzyl)-4-(3-pyridylmethyl)piperazin-4-ium Formula: C17H21N4O2+ MolecularWeight: 313.37424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O2/c22-21(23)17-5-3-15(4-6-17)13-19-8-10-20(11-9-19)14-16-2-1-7-18-12-16/h1-7,12H,8-11,13-14H2/p+1