[ethyl(2-pyridin-1-ium-1-ylethanoyl)amino] dodecanoate chloride

Systemtic Name: [ethyl(2-pyridin-1-ium-1-ylethanoyl)amino] dodecanoate chloride Openeye Name: [ethyl-(2-pyridin-1-ium-1-ylacetyl)amino] dodecanoate chloride CAS Name: dodecanoic acid [ethyl-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]amino] ester chloride IUPAC Name: [ethyl-(2-pyridin-1-ium-1-ylacetyl)amino] dodecanoate chloride Traditional Name: lauric acid [ethyl-(2-pyridin-1-ium-1-ylacetyl)amino] ester chloride Formula: C21H35ClN2O3 MolecularWeight: 398.9672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N2O3.ClH/c1-3-5-6-7-8-9-10-11-13-16-21(25)26-23(4-2)20(24)19-22-17-14-12-15-18-22;/h12,14-15,17-18H,3-11,13,16,19H2,1-2H3;1H/q+1;/p-1