1-[3-nitro-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-(4-benzylpiperazin-4-ium-1-yl)-3-nitro-phenyl]ethanone CAS Name: 1-[3-nitro-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-(4-benzylpiperazin-4-ium-1-yl)-3-nitrophenyl]ethanone Traditional Name: 1-[4-(4-benzylpiperazin-4-ium-1-yl)-3-nitro-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)17-7-8-18(19(13-17)22(24)25)21-11-9-20(10-12-21)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3/p+1