1-[2-(hexadecylamino)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-[2-(hexadecylamino)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-(hexadecylamino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[2-(hexadecylamino)-2-oxoethyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[2-(hexadecylamino)-2-oxoethyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-(cetylamino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide chloride Formula: C24H42ClN3O2 MolecularWeight: 440.06218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H41N3O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-26-23(28)21-27-19-16-17-22(20-27)24(25)29;/h16-17,19-20H,2-15,18,21H2,1H3,(H2-,25,26,28,29);1H