decyl 2-[3-(phenylcarbamoyl)pyridin-1-ium-1-yl]ethanoate

Systemtic Name: decyl 2-[3-(phenylcarbamoyl)pyridin-1-ium-1-yl]ethanoate Openeye Name: decyl 2-[3-(phenylcarbamoyl)pyridin-1-ium-1-yl]acetate CAS Name: 2-[3-[anilino(oxo)methyl]-1-pyridin-1-iumyl]acetic acid decyl ester IUPAC Name: decyl 2-[3-(phenylcarbamoyl)pyridin-1-ium-1-yl]acetate Traditional Name: 2-[3-(phenylcarbamoyl)pyridin-1-ium-1-yl]acetic acid decyl ester Formula: C24H33N2O3+ MolecularWeight: 397.53042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C[N+]1=CC=CC(=C1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCOC(=O)C[N+]1=CC=CC(=C1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C24H32N2O3/c1-2-3-4-5-6-7-8-12-18-29-23(27)20-26-17-13-14-21(19-26)24(28)25-22-15-10-9-11-16-22/h9-11,13-17,19H,2-8,12,18,20H2,1H3/p+1