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

Systemtic Name: 1-[2-(decylamino)-2-oxidanylidene-ethyl]-N-prop-2-enyl-pyridin-1-ium-3-carboxamide chloride Openeye Name: N-allyl-1-[2-(decylamino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[2-(decylamino)-2-oxoethyl]-N-prop-2-enyl-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[2-(decylamino)-2-oxoethyl]-N-prop-2-enylpyridin-1-ium-3-carboxamide chloride Traditional Name: N-allyl-1-[2-(decylamino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide chloride Formula: C21H34ClN3O2 MolecularWeight: 395.96656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O2.ClH/c1-3-5-6-7-8-9-10-11-15-22-20(25)18-24-16-12-13-19(17-24)21(26)23-14-4-2;/h4,12-13,16-17H,2-3,5-11,14-15,18H2,1H3,(H-,22,23,25,26);1H