1-[(2-nitrophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[(2-nitrophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium Openeye Name: 1-[(2-nitrophenyl)methyl]-4-(3-pyridylmethyl)piperazin-4-ium CAS Name: 1-[(2-nitrophenyl)methyl]-4-(3-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-[(2-nitrophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium Traditional Name: 1-(2-nitrobenzyl)-4-(3-pyridylmethyl)piperazin-4-ium Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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