11-(4-pyridin-1-ium-1-ylbutyl)docosan-10-one

Systemtic Name: 11-(4-pyridin-1-ium-1-ylbutyl)docosan-10-one Openeye Name: 11-(4-pyridin-1-ium-1-ylbutyl)docosan-10-one CAS Name: 11-[4-(1-pyridin-1-iumyl)butyl]-10-docosanone IUPAC Name: 11-(4-pyridin-1-ium-1-ylbutyl)docosan-10-one Traditional Name: 11-(4-pyridin-1-ium-1-ylbutyl)docosan-10-one Formula: C31H56NO+ MolecularWeight: 458.78244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCC[N+]1=CC=CC=C1)C(=O)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(CCCC[N+]1=CC=CC=C1)C(=O)CCCCCCCCC

InChI

InChI=1S/C31H56NO/c1-3-5-7-9-11-12-14-15-18-24-30(25-20-23-29-32-27-21-17-22-28-32)31(33)26-19-16-13-10-8-6-4-2/h17,21-22,27-28,30H,3-16,18-20,23-26,29H2,1-2H3/q+1