1-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[(3-nitrophenyl)methyl]-1-piperazin-4-iumyl]-2-phenoxyethanone IUPAC Name: 1-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-(3-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(15-26-18-7-2-1-3-8-18)21-11-9-20(10-12-21)14-16-5-4-6-17(13-16)22(24)25/h1-8,13H,9-12,14-15H2/p+1