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

Systemtic Name: 1-[(4-nitrophenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(4-nitrophenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-(4-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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