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hexadecyl 2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoate

hexadecyl 2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoate

Systemtic Name:hexadecyl 2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoate
Openeye Name:hexadecyl 2-(3-carbamoylpyridin-1-ium-1-yl)acetate
CAS Name:2-(3-carbamoyl-1-pyridin-1-iumyl)acetic acid hexadecyl ester
IUPAC Name:hexadecyl 2-(3-carbamoylpyridin-1-ium-1-yl)acetate
Traditional Name:2-(3-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=CC(=C1)C(=O)N


Isomeric SMILES

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


InChI

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


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