[3-(dimethylcarbamoyl)pyridin-1-ium-1-yl]methyl dodecanoate chloride

Systemtic Name: [3-(dimethylcarbamoyl)pyridin-1-ium-1-yl]methyl dodecanoate chloride Openeye Name: [3-(dimethylcarbamoyl)pyridin-1-ium-1-yl]methyl dodecanoate chloride CAS Name: dodecanoic acid [3-[dimethylamino(oxo)methyl]-1-pyridin-1-iumyl]methyl ester chloride IUPAC Name: [3-(dimethylcarbamoyl)pyridin-1-ium-1-yl]methyl dodecanoate chloride Traditional Name: lauric acid [3-(dimethylcarbamoyl)pyridin-1-ium-1-yl]methyl ester chloride Formula: C21H35ClN2O3 MolecularWeight: 398.9672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC[N+]1=CC=CC(=C1)C(=O)N(C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC(=O)OC[N+]1=CC=CC(=C1)C(=O)N(C)C.[Cl-]

InChI

InChI=1S/C21H35N2O3.ClH/c1-4-5-6-7-8-9-10-11-12-15-20(24)26-18-23-16-13-14-19(17-23)21(25)22(2)3;/h13-14,16-17H,4-12,15,18H2,1-3H3;1H/q+1;/p-1