1-(2-nitrophenyl)-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(2-nitrophenyl)-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(2-nitrophenyl)piperazin-1-ium CAS Name: 1-(2-nitrophenyl)-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(2-nitrophenyl)piperazin-1-ium Traditional Name: 1-benzyl-4-(2-nitrophenyl)piperazin-1-ium Formula: C17H20N3O2+ MolecularWeight: 298.3596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2/c21-20(22)17-9-5-4-8-16(17)19-12-10-18(11-13-19)14-15-6-2-1-3-7-15/h1-9H,10-14H2/p+1