1-[[4-(3-nitrophenyl)phenyl]methyl]piperazin-4-ium

Systemtic Name: 1-[[4-(3-nitrophenyl)phenyl]methyl]piperazin-4-ium Openeye Name: 1-[[4-(3-nitrophenyl)phenyl]methyl]piperazin-4-ium CAS Name: 1-[[4-(3-nitrophenyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-[[4-(3-nitrophenyl)phenyl]methyl]piperazin-4-ium Traditional Name: 1-[4-(3-nitrophenyl)benzyl]piperazin-4-ium Formula: C17H20N3O2+ MolecularWeight: 298.3596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC2=CC=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)CC2=CC=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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