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

Systemtic Name: 1-[(3-methylphenyl)methyl]-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazine-1,4-diium Openeye Name: 1-(m-tolylmethyl)-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazine-1,4-diium CAS Name: 1-[(3-methylphenyl)methyl]-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazine-1,4-diium IUPAC Name: 1-[(3-methylphenyl)methyl]-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazine-1,4-diium Traditional Name: 1-(3-methylbenzyl)-4-[(1R)-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=C1)C[NH+]2CC[NH+](CC2)C(C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)[C@H](C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O2/c1-16-5-3-6-18(13-16)15-21-9-11-22(12-10-21)17(2)19-7-4-8-20(14-19)23(24)25/h3-8,13-14,17H,9-12,15H2,1-2H3/p+2/t17-/m1/s1