2-(4-nitrophenyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-nitrophenyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-nitrophenyl)ethanone CAS Name: 2-(4-nitrophenyl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-nitrophenyl)ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-nitrophenyl)ethanone Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O3/c23-19(14-16-6-8-18(9-7-16)22(24)25)21-12-10-20(11-13-21)15-17-4-2-1-3-5-17/h1-9H,10-15H2/p+1