2-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxy-5-oxidanyl-cyclohex-2-en-1-ylidene]azaniumylethanoate

Systemtic Name: 2-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxy-5-oxidanyl-cyclohex-2-en-1-ylidene]azaniumylethanoate Openeye Name: 2-[5-hydroxy-3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxy-cyclohex-2-en-1-ylidene]ammonioacetate CAS Name: 2-[[5-hydroxy-3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxy-1-cyclohex-2-enylidene]ammonio]acetate IUPAC Name: 2-[5-hydroxy-3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-ylidene]azaniumylacetate Traditional Name: 2-[5-hydroxy-3-(2-hydroxyethylamino)-2-methoxy-5-methylol-cyclohex-2-en-1-ylidene]ammonioacetate Formula: C12H20N2O6 MolecularWeight: 288.297

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(CC(CC1=[NH+]CC(=O)[O-])(CO)O)NCCO

Isomeric SMILES

COC1=C(CC(CC1=[NH+]CC(=O)[O-])(CO)O)NCCO

InChI

InChI=1S/C12H20N2O6/c1-20-11-8(13-2-3-15)4-12(19,7-16)5-9(11)14-6-10(17)18/h13,15-16,19H,2-7H2,1H3,(H,17,18)