(2-methoxy-5-nitro-phenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: (2-methoxy-5-nitro-phenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: (2-methoxy-5-nitro-phenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: (2-methoxy-5-nitrophenyl)-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (2-methoxy-5-nitrophenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: (2-methoxy-5-nitro-phenyl)-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C17H19N4O4+ MolecularWeight: 343.35716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C17H18N4O4/c1-25-16-3-2-14(21(23)24)12-15(16)17(22)20-10-8-19(9-11-20)13-4-6-18-7-5-13/h2-7,12H,8-11H2,1H3/p+1