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

Systemtic Name: 1-[(4-methylphenyl)methyl]-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium Openeye Name: 1-(p-tolylmethyl)-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium CAS Name: 1-[(4-methylphenyl)methyl]-4-(2-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(4-methylphenyl)methyl]-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(4-methylbenzyl)-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium Formula: C18H26N3+3 MolecularWeight: 284.41914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=[NH+]3

InChI

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