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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O3/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/p+1