ethyl 5-cyano-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-6-methyl-pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-6-methyl-pyridin-1-ium-3-carboxylate Openeye Name: ethyl 5-cyano-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-6-methyl-pyridin-1-ium-3-carboxylate CAS Name: 5-cyano-2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-6-methyl-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-6-methylpyridin-1-ium-3-carboxylate Traditional Name: 5-cyano-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-6-methyl-pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C16H24N4O3+2 MolecularWeight: 320.38676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)C)N2CC[NH+](CC2)CCO

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)C)N2CC[NH+](CC2)CCO

InChI

InChI=1S/C16H22N4O3/c1-3-23-16(22)14-10-13(11-17)12(2)18-15(14)20-6-4-19(5-7-20)8-9-21/h10,21H,3-9H2,1-2H3/p+2