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

Systemtic Name: 1-[(3-methylphenyl)methyl]-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium Openeye Name: 1-(m-tolylmethyl)-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium CAS Name: 1-[(3-methylphenyl)methyl]-4-(4-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(3-methylphenyl)methyl]-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(3-methylbenzyl)-4-(pyridin-1-ium-4-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(=CC=C1)C[NH+]2CC[NH+](CC2)CC3=CC=[NH+]C=C3

Isomeric SMILES

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

InChI

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