1-[4-methoxy-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanone Formula: C20H24N3O4+ MolecularWeight: 370.42226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4/c1-15(24)16-3-8-20(27-2)17(13-16)14-21-9-11-22(12-10-21)18-4-6-19(7-5-18)23(25)26/h3-8,13H,9-12,14H2,1-2H3/p+1