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

Systemtic Name: dodecyl 2-[3-[(phenylmethyl)carbamoyl]pyridin-1-ium-1-yl]ethanoate chloride Openeye Name: dodecyl 2-[3-(benzylcarbamoyl)pyridin-1-ium-1-yl]acetate chloride CAS Name: 2-[3-[oxo-[(phenylmethyl)amino]methyl]-1-pyridin-1-iumyl]acetic acid dodecyl ester chloride IUPAC Name: dodecyl 2-[3-(benzylcarbamoyl)pyridin-1-ium-1-yl]acetate chloride Traditional Name: 2-[3-(benzylcarbamoyl)pyridin-1-ium-1-yl]acetic acid lauryl ester chloride Formula: C27H39ClN2O3 MolecularWeight: 475.06316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C[N+]1=CC=CC(=C1)C(=O)NCC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C[N+]1=CC=CC(=C1)C(=O)NCC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C27H38N2O3.ClH/c1-2-3-4-5-6-7-8-9-10-14-20-32-26(30)23-29-19-15-18-25(22-29)27(31)28-21-24-16-12-11-13-17-24;/h11-13,15-19,22H,2-10,14,20-21,23H2,1H3;1H