1-[(3-nitrophenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(3-nitrophenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-nitrophenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-(3-nitrobenzyl)piperazine-1,4-diium Formula: C18H23N3O2+2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O2/c22-21(23)18-8-4-7-17(13-18)15-20-11-9-19(10-12-20)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2/p+2