2-(4-nitrophenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-nitrophenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-nitrophenoxy)-1-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-nitrophenoxy)-1-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-nitrophenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-nitrophenoxy)-1-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C18H21N4O4+ MolecularWeight: 357.38374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=CC=C2)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4/c23-18(14-26-17-5-3-16(4-6-17)22(24)25)21-10-8-20(9-11-21)13-15-2-1-7-19-12-15/h1-7,12H,8-11,13-14H2/p+1