1-[2-(dodecylamino)-2-oxidanylidene-ethyl]-N-methyl-pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-[2-(dodecylamino)-2-oxidanylidene-ethyl]-N-methyl-pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-(dodecylamino)-2-oxo-ethyl]-N-methyl-pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[2-(dodecylamino)-2-oxoethyl]-N-methyl-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[2-(dodecylamino)-2-oxoethyl]-N-methylpyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-keto-2-(laurylamino)ethyl]-N-methyl-pyridin-1-ium-3-carboxamide chloride Formula: C21H36ClN3O2 MolecularWeight: 397.98244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C[N+]1=CC=CC(=C1)C(=O)NC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C[N+]1=CC=CC(=C1)C(=O)NC.[Cl-]

InChI

InChI=1S/C21H35N3O2.ClH/c1-3-4-5-6-7-8-9-10-11-12-15-23-20(25)18-24-16-13-14-19(17-24)21(26)22-2;/h13-14,16-17H,3-12,15,18H2,1-2H3,(H-,22,23,25,26);1H