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

Systemtic Name: 1-[(2-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-[(2-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-[(2-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(2-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(2-nitrobenzyl)piperazin-4-ium Formula: C11H16N3O2+ MolecularWeight: 222.26364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C11H15N3O2/c15-14(16)11-4-2-1-3-10(11)9-13-7-5-12-6-8-13/h1-4,12H,5-9H2/p+1