1-[3-nitro-2-(phenylmethyl)phenyl]-1-(phenylmethyl)piperazin-1-ium

Systemtic Name: 1-[3-nitro-2-(phenylmethyl)phenyl]-1-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-1-(2-benzyl-3-nitro-phenyl)piperazin-1-ium CAS Name: 1-[3-nitro-2-(phenylmethyl)phenyl]-1-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-1-(2-benzyl-3-nitrophenyl)piperazin-1-ium Traditional Name: 1-benzyl-1-(2-benzyl-3-nitro-phenyl)piperazin-1-ium Formula: C24H26N3O2+ MolecularWeight: 388.48214

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CC2=CC=CC=C2)C3=CC=CC(=C3CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[N+](CCN1)(CC2=CC=CC=C2)C3=CC=CC(=C3CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H26N3O2/c28-26(29)23-12-7-13-24(22(23)18-20-8-3-1-4-9-20)27(16-14-25-15-17-27)19-21-10-5-2-6-11-21/h1-13,25H,14-19H2/q+1