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

Systemtic Name: (4-nitrophenyl)-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-nitrophenyl)-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-nitrophenyl)-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-nitrophenyl)-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-nitrophenyl)-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C17H19N4O3+ MolecularWeight: 327.35776

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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