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

Systemtic Name: 1-[4-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(3-nitrophenyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(3-nitrobenzyl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O3/c1-15(23)17-5-7-18(8-6-17)21-11-9-20(10-12-21)14-16-3-2-4-19(13-16)22(24)25/h2-8,13H,9-12,14H2,1H3/p+1