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

Systemtic Name: [4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]-(3-pyridyl)methanone CAS Name: [4-[(3-nitrophenyl)methyl]-1-piperazin-4-iumyl]-(3-pyridinyl)methanone IUPAC Name: [4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-(3-nitrobenzyl)piperazin-4-ium-1-yl]-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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