[4-[(2-nitrophenyl)methyl]piperazin-4-ium-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [4-[(2-nitrophenyl)methyl]piperazin-4-ium-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[(2-nitrophenyl)methyl]piperazin-4-ium-1-yl]-(4-pyridyl)methanone CAS Name: [4-[(2-nitrophenyl)methyl]-1-piperazin-4-iumyl]-pyridin-4-ylmethanone IUPAC Name: [4-[(2-nitrophenyl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-(2-nitrobenzyl)piperazin-4-ium-1-yl]-(4-pyridyl)methanone Formula: C17H19N4O3+ MolecularWeight: 327.35776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3/c22-17(14-5-7-18-8-6-14)20-11-9-19(10-12-20)13-15-3-1-2-4-16(15)21(23)24/h1-8H,9-13H2/p+1