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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC3=CN=CC=C3

InChI

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