1-[2-(decylamino)-2-oxidanylidene-ethyl]-N-(phenylmethyl)pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-[2-(decylamino)-2-oxidanylidene-ethyl]-N-(phenylmethyl)pyridin-1-ium-3-carboxamide chloride Openeye Name: N-benzyl-1-[2-(decylamino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[2-(decylamino)-2-oxoethyl]-N-(phenylmethyl)-3-pyridin-1-iumcarboxamide chloride IUPAC Name: N-benzyl-1-[2-(decylamino)-2-oxoethyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: N-benzyl-1-[2-(decylamino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide chloride Formula: C25H36ClN3O2 MolecularWeight: 446.02524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O2.ClH/c1-2-3-4-5-6-7-8-12-17-26-24(29)21-28-18-13-16-23(20-28)25(30)27-19-22-14-10-9-11-15-22;/h9-11,13-16,18,20H,2-8,12,17,19,21H2,1H3,(H-,26,27,29,30);1H