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

Systemtic Name: 1-[2-(decylamino)-2-oxidanylidene-ethyl]-N-prop-2-enyl-pyridin-1-ium-3-carboxamide Openeye Name: N-allyl-1-[2-(decylamino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-(decylamino)-2-oxoethyl]-N-prop-2-enyl-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(decylamino)-2-oxoethyl]-N-prop-2-enylpyridin-1-ium-3-carboxamide Traditional Name: N-allyl-1-[2-(decylamino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C21H34N3O2+ MolecularWeight: 360.51356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O2/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)/p+1