(4-ethoxy-3-nitro-phenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: (4-ethoxy-3-nitro-phenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: (4-ethoxy-3-nitro-phenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: (4-ethoxy-3-nitrophenyl)-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (4-ethoxy-3-nitrophenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: (4-ethoxy-3-nitro-phenyl)-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C18H21N4O4+ MolecularWeight: 357.38374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4/c1-2-26-17-4-3-14(13-16(17)22(24)25)18(23)21-11-9-20(10-12-21)15-5-7-19-8-6-15/h3-8,13H,2,9-12H2,1H3/p+1