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

Systemtic Name: 1-[4-[(2-nitrophenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(2-nitrophenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(2-nitrophenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[(2-nitrophenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-(2-nitrobenzyl)piperazin-4-ium-1-yl]ethanone Formula: C13H18N3O3+ MolecularWeight: 264.30032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O3/c1-11(17)15-8-6-14(7-9-15)10-12-4-2-3-5-13(12)16(18)19/h2-5H,6-10H2,1H3/p+1