1-[(3-methylphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(3-methylphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1,4-diium Openeye Name: 1-(m-tolylmethyl)-4-(2-pyridylmethyl)piperazine-1,4-diium CAS Name: 1-[(3-methylphenyl)methyl]-4-(2-pyridinylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(3-methylphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(3-methylbenzyl)-4-(2-pyridylmethyl)piperazine-1,4-diium Formula: C18H25N3+2 MolecularWeight: 283.4112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=N3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=N3

InChI

InChI=1S/C18H23N3/c1-16-5-4-6-17(13-16)14-20-9-11-21(12-10-20)15-18-7-2-3-8-19-18/h2-8,13H,9-12,14-15H2,1H3/p+2