hexadecyl 2-(4-aminocarbonylpyridin-1-ium-1-yl)ethanoate

Systemtic Name: hexadecyl 2-(4-aminocarbonylpyridin-1-ium-1-yl)ethanoate Openeye Name: hexadecyl 2-(4-carbamoylpyridin-1-ium-1-yl)acetate CAS Name: 2-(4-carbamoyl-1-pyridin-1-iumyl)acetic acid hexadecyl ester IUPAC Name: hexadecyl 2-(4-carbamoylpyridin-1-ium-1-yl)acetate Traditional Name: 2-(4-carbamoylpyridin-1-ium-1-yl)acetic acid cetyl ester Formula: C24H41N2O3+ MolecularWeight: 405.59394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-29-23(27)21-26-18-16-22(17-19-26)24(25)28/h16-19H,2-15,20-21H2,1H3,(H-,25,28)/p+1