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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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