2-(2-pyridin-1-ium-1-ylethanoylamino)ethyl dodecanoate chloride

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O3.ClH/c1-2-3-4-5-6-7-8-9-11-14-21(25)26-18-15-22-20(24)19-23-16-12-10-13-17-23;/h10,12-13,16-17H,2-9,11,14-15,18-19H2,1H3;1H