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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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