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

Systemtic Name: 1-[2-(decylamino)-2-oxidanylidene-ethyl]-N,N-diethyl-pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-(decylamino)-2-oxo-ethyl]-N,N-diethyl-pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[2-(decylamino)-2-oxoethyl]-N,N-diethyl-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[2-(decylamino)-2-oxoethyl]-N,N-diethylpyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-(decylamino)-2-keto-ethyl]-N,N-diethyl-pyridin-1-ium-3-carboxamide chloride Formula: C22H38ClN3O2 MolecularWeight: 412.00902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37N3O2.ClH/c1-4-7-8-9-10-11-12-13-16-23-21(26)19-24-17-14-15-20(18-24)22(27)25(5-2)6-3;/h14-15,17-18H,4-13,16,19H2,1-3H3;1H