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

Systemtic Name: [ethyl(2-pyridin-1-ium-1-ylethanoyl)amino] dodecanoate Openeye Name: [ethyl-(2-pyridin-1-ium-1-ylacetyl)amino] dodecanoate CAS Name: dodecanoic acid [ethyl-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]amino] ester IUPAC Name: [ethyl-(2-pyridin-1-ium-1-ylacetyl)amino] dodecanoate Traditional Name: lauric acid [ethyl-(2-pyridin-1-ium-1-ylacetyl)amino] ester Formula: C21H35N2O3+ MolecularWeight: 363.5142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N2O3/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/q+1