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

Systemtic Name: 1-[4-[(2-nitrophenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[(2-nitrophenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[(2-nitrophenyl)methyl]-1-piperazin-4-iumyl]-2-phenoxyethanone IUPAC Name: 1-[4-[(2-nitrophenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-(2-nitrobenzyl)piperazin-4-ium-1-yl]-2-phenoxy-ethanone Formula: C19H22N3O4+ MolecularWeight: 356.39568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])C(=O)COC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O4/c23-19(15-26-17-7-2-1-3-8-17)21-12-10-20(11-13-21)14-16-6-4-5-9-18(16)22(24)25/h1-9H,10-15H2/p+1