1-[(4-methylphenyl)methyl]-4-octyl-pyridin-1-ium

Systemtic Name: 1-[(4-methylphenyl)methyl]-4-octyl-pyridin-1-ium Openeye Name: 4-octyl-1-(p-tolylmethyl)pyridin-1-ium CAS Name: 1-[(4-methylphenyl)methyl]-4-octylpyridin-1-ium IUPAC Name: 1-[(4-methylphenyl)methyl]-4-octylpyridin-1-ium Traditional Name: 1-(4-methylbenzyl)-4-octyl-pyridin-1-ium Formula: C21H30N+ MolecularWeight: 296.4696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=[N+](C=C1)CC2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCC1=CC=[N+](C=C1)CC2=CC=C(C=C2)C

InChI

InChI=1S/C21H30N/c1-3-4-5-6-7-8-9-20-14-16-22(17-15-20)18-21-12-10-19(2)11-13-21/h10-17H,3-9,18H2,1-2H3/q+1