1-methyl-4-pentacosan-13-yl-pyridin-1-ium

Systemtic Name: 1-methyl-4-pentacosan-13-yl-pyridin-1-ium Openeye Name: 4-(1-dodecyltridecyl)-1-methyl-pyridin-1-ium CAS Name: 1-methyl-4-pentacosan-13-ylpyridin-1-ium IUPAC Name: 1-methyl-4-pentacosan-13-ylpyridin-1-ium Traditional Name: 4-(1-lauryltridecyl)-1-methyl-pyridin-1-ium Formula: C31H58N+ MolecularWeight: 444.79892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCCCCCCCCC)C1=CC=[N+](C=C1)C

Isomeric SMILES

CCCCCCCCCCCCC(CCCCCCCCCCCC)C1=CC=[N+](C=C1)C

InChI

InChI=1S/C31H58N/c1-4-6-8-10-12-14-16-18-20-22-24-30(31-26-28-32(3)29-27-31)25-23-21-19-17-15-13-11-9-7-5-2/h26-30H,4-25H2,1-3H3/q+1