3-pyridin-1-ium-1-ylpropyl dodecanoate

Systemtic Name: 3-pyridin-1-ium-1-ylpropyl dodecanoate Openeye Name: 3-pyridin-1-ium-1-ylpropyl dodecanoate CAS Name: dodecanoic acid 3-(1-pyridin-1-iumyl)propyl ester IUPAC Name: 3-pyridin-1-ium-1-ylpropyl dodecanoate Traditional Name: lauric acid 3-pyridin-1-ium-1-ylpropyl ester Formula: C20H34NO2+ MolecularWeight: 320.48946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCCC[N+]1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCC(=O)OCCC[N+]1=CC=CC=C1

InChI

InChI=1S/C20H34NO2/c1-2-3-4-5-6-7-8-9-11-15-20(22)23-19-14-18-21-16-12-10-13-17-21/h10,12-13,16-17H,2-9,11,14-15,18-19H2,1H3/q+1