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

Systemtic Name: 2-[methanoyl(pyridin-1-ium-1-ylmethyl)amino]ethyl dodecanoate chloride Openeye Name: 2-[formyl(pyridin-1-ium-1-ylmethyl)amino]ethyl dodecanoate chloride CAS Name: dodecanoic acid 2-[formyl(1-pyridin-1-iumylmethyl)amino]ethyl ester chloride IUPAC Name: 2-[formyl(pyridin-1-ium-1-ylmethyl)amino]ethyl dodecanoate chloride Traditional Name: lauric acid 2-[formyl(pyridin-1-ium-1-ylmethyl)amino]ethyl ester chloride Formula: C21H35ClN2O3 MolecularWeight: 398.9672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N2O3.ClH/c1-2-3-4-5-6-7-8-9-11-14-21(25)26-18-17-23(20-24)19-22-15-12-10-13-16-22;/h10,12-13,15-16,20H,2-9,11,14,17-19H2,1H3;1H/q+1;/p-1