3-heptyl-1-methyl-2-octyl-quinolin-1-ium

Systemtic Name: 3-heptyl-1-methyl-2-octyl-quinolin-1-ium Openeye Name: 3-heptyl-1-methyl-2-octyl-quinolin-1-ium CAS Name: 3-heptyl-1-methyl-2-octylquinolin-1-ium IUPAC Name: 3-heptyl-1-methyl-2-octylquinolin-1-ium Traditional Name: 3-heptyl-1-methyl-2-octyl-quinolin-1-ium Formula: C25H40N+ MolecularWeight: 354.5918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=[N+](C2=CC=CC=C2C=C1CCCCCCC)C

Isomeric SMILES

CCCCCCCCC1=[N+](C2=CC=CC=C2C=C1CCCCCCC)C

InChI

InChI=1S/C25H40N/c1-4-6-8-10-12-14-19-24-22(17-13-11-9-7-5-2)21-23-18-15-16-20-25(23)26(24)3/h15-16,18,20-21H,4-14,17,19H2,1-3H3/q+1