1-[2-(dodecylamino)-2-oxidanylidene-ethyl]pyridin-1-ium-4-carboxamide

Systemtic Name: 1-[2-(dodecylamino)-2-oxidanylidene-ethyl]pyridin-1-ium-4-carboxamide Openeye Name: 1-[2-(dodecylamino)-2-oxo-ethyl]pyridin-1-ium-4-carboxamide CAS Name: 1-[2-(dodecylamino)-2-oxoethyl]-4-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(dodecylamino)-2-oxoethyl]pyridin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-(laurylamino)ethyl]pyridin-1-ium-4-carboxamide Formula: C20H34N3O2+ MolecularWeight: 348.50286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O2/c1-2-3-4-5-6-7-8-9-10-11-14-22-19(24)17-23-15-12-18(13-16-23)20(21)25/h12-13,15-16H,2-11,14,17H2,1H3,(H2-,21,22,24,25)/p+1