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

Systemtic Name: dodecyl 2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoate Openeye Name: dodecyl 2-(3-carbamoylpyridin-1-ium-1-yl)acetate CAS Name: 2-(3-carbamoyl-1-pyridin-1-iumyl)acetic acid dodecyl ester IUPAC Name: dodecyl 2-(3-carbamoylpyridin-1-ium-1-yl)acetate Traditional Name: 2-(3-carbamoylpyridin-1-ium-1-yl)acetic acid lauryl ester Formula: C20H33N2O3+ MolecularWeight: 349.48762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O3/c1-2-3-4-5-6-7-8-9-10-11-15-25-19(23)17-22-14-12-13-18(16-22)20(21)24/h12-14,16H,2-11,15,17H2,1H3,(H-,21,24)/p+1