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

Systemtic Name: 1-[(3-nitrophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium Openeye Name: 1-[(3-nitrophenyl)methyl]-4-(3-pyridylmethyl)piperazin-4-ium CAS Name: 1-[(3-nitrophenyl)methyl]-4-(3-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-[(3-nitrophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium Traditional Name: 1-(3-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)17-5-1-3-15(11-17)13-19-7-9-20(10-8-19)14-16-4-2-6-18-12-16/h1-6,11-12H,7-10,13-14H2/p+1