dodecyl 2-[3-[(4-chlorophenyl)carbamoyl]pyridin-1-ium-1-yl]ethanoate chloride

Systemtic Name: dodecyl 2-[3-[(4-chlorophenyl)carbamoyl]pyridin-1-ium-1-yl]ethanoate chloride Openeye Name: dodecyl 2-[3-[(4-chlorophenyl)carbamoyl]pyridin-1-ium-1-yl]acetate chloride CAS Name: 2-[3-[(4-chloroanilino)-oxomethyl]-1-pyridin-1-iumyl]acetic acid dodecyl ester chloride IUPAC Name: dodecyl 2-[3-[(4-chlorophenyl)carbamoyl]pyridin-1-ium-1-yl]acetate chloride Traditional Name: 2-[3-[(4-chlorophenyl)carbamoyl]pyridin-1-ium-1-yl]acetic acid lauryl ester chloride Formula: C26H36Cl2N2O3 MolecularWeight: 495.48164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C[N+]1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)Cl.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C[N+]1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)Cl.[Cl-]

InChI

InChI=1S/C26H35ClN2O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-19-32-25(30)21-29-18-12-13-22(20-29)26(31)28-24-16-14-23(27)15-17-24;/h12-18,20H,2-11,19,21H2,1H3;1H