[3-(dimethylcarbamoyloxy)pyridin-1-ium-1-yl]methyl hexanoate chloride

Systemtic Name: [3-(dimethylcarbamoyloxy)pyridin-1-ium-1-yl]methyl hexanoate chloride Openeye Name: [3-(dimethylcarbamoyloxy)pyridin-1-ium-1-yl]methyl hexanoate chloride CAS Name: hexanoic acid [3-[dimethylamino(oxo)methoxy]-1-pyridin-1-iumyl]methyl ester chloride IUPAC Name: [3-(dimethylcarbamoyloxy)pyridin-1-ium-1-yl]methyl hexanoate chloride Traditional Name: hexanoic acid [3-(dimethylcarbamoyloxy)pyridin-1-ium-1-yl]methyl ester chloride Formula: C15H23ClN2O4 MolecularWeight: 330.80712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N2O4.ClH/c1-4-5-6-9-14(18)20-12-17-10-7-8-13(11-17)21-15(19)16(2)3;/h7-8,10-11H,4-6,9,12H2,1-3H3;1H/q+1;/p-1