1-[(2-nitrophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium

Systemtic Name: 1-[(2-nitrophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium Openeye Name: 1-[(2-nitrophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium CAS Name: 1-[(2-nitrophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium IUPAC Name: 1-[(2-nitrophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium Traditional Name: 1-(2-nitrobenzyl)-4-(4-phenylcyclohexyl)piperazine-1,4-diium Formula: C23H31N3O2+2 MolecularWeight: 381.51114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=CC=C2)[NH+]3CC[NH+](CC3)CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1C2=CC=CC=C2)[NH+]3CC[NH+](CC3)CC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O2/c27-26(28)23-9-5-4-8-21(23)18-24-14-16-25(17-15-24)22-12-10-20(11-13-22)19-6-2-1-3-7-19/h1-9,20,22H,10-18H2/p+2