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

Systemtic Name: 1-[(3-nitrophenyl)methyl]-4-(3-phenylpropyl)piperazine-1,4-diium Openeye Name: 1-[(3-nitrophenyl)methyl]-4-(3-phenylpropyl)piperazine-1,4-diium CAS Name: 1-[(3-nitrophenyl)methyl]-4-(3-phenylpropyl)piperazine-1,4-diium IUPAC Name: 1-[(3-nitrophenyl)methyl]-4-(3-phenylpropyl)piperazine-1,4-diium Traditional Name: 1-(3-nitrobenzyl)-4-(3-phenylpropyl)piperazine-1,4-diium Formula: C20H27N3O2+2 MolecularWeight: 341.44728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCCC2=CC=CC=C2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC[NH+]1CCCC2=CC=CC=C2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O2/c24-23(25)20-10-4-8-19(16-20)17-22-14-12-21(13-15-22)11-5-9-18-6-2-1-3-7-18/h1-4,6-8,10,16H,5,9,11-15,17H2/p+2