[2-[(2-cyano-4,5-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [2-[(2-cyano-4,5-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [2-(2-cyano-4,5-dimethoxy-anilino)-2-oxo-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [2-(2-cyano-4,5-dimethoxyanilino)-2-oxoethyl]-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [2-(2-cyano-4,5-dimethoxyanilino)-2-oxoethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [2-(2-cyano-4,5-dimethoxy-anilino)-2-keto-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C18H28N4O3+2 MolecularWeight: 348.43992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC(=O)NC2=CC(=C(C=C2C#N)OC)OC

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)CC(=O)NC2=CC(=C(C=C2C#N)OC)OC

InChI

InChI=1S/C18H26N4O3/c1-21-7-5-14(6-8-21)22(2)12-18(23)20-15-10-17(25-4)16(24-3)9-13(15)11-19/h9-10,14H,5-8,12H2,1-4H3,(H,20,23)/p+2