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

Systemtic Name: 1-[(4-methylphenyl)methyl]-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Openeye Name: 1-(p-tolylmethyl)-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium CAS Name: 1-[(4-methylphenyl)methyl]-4-(3-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(4-methylphenyl)methyl]-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(4-methylbenzyl)-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Formula: C18H26N3+3 MolecularWeight: 284.41914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=C[NH+]=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=C[NH+]=CC=C3

InChI

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