1-[(2-methylphenyl)methyl]-4-[(1S)-1-(3-nitrophenyl)ethyl]piperazine-1,4-diium

Systemtic Name: 1-[(2-methylphenyl)methyl]-4-[(1S)-1-(3-nitrophenyl)ethyl]piperazine-1,4-diium Openeye Name: 1-[(1S)-1-(3-nitrophenyl)ethyl]-4-(o-tolylmethyl)piperazine-1,4-diium CAS Name: 1-[(2-methylphenyl)methyl]-4-[(1S)-1-(3-nitrophenyl)ethyl]piperazine-1,4-diium IUPAC Name: 1-[(2-methylphenyl)methyl]-4-[(1S)-1-(3-nitrophenyl)ethyl]piperazine-1,4-diium Traditional Name: 1-(2-methylbenzyl)-4-[(1S)-1-(3-nitrophenyl)ethyl]piperazine-1,4-diium Formula: C20H27N3O2+2 MolecularWeight: 341.44728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)C(C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)[C@@H](C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O2/c1-16-6-3-4-7-19(16)15-21-10-12-22(13-11-21)17(2)18-8-5-9-20(14-18)23(24)25/h3-9,14,17H,10-13,15H2,1-2H3/p+2/t17-/m0/s1