2-[5-(hydroxymethyl)-2-methoxy-5-oxidanyl-3-[[(E)-prop-1-enyl]amino]cyclohex-2-en-1-ylidene]azaniumylethanoate

Systemtic Name: 2-[5-(hydroxymethyl)-2-methoxy-5-oxidanyl-3-[[(E)-prop-1-enyl]amino]cyclohex-2-en-1-ylidene]azaniumylethanoate Openeye Name: 2-[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-[[(E)-prop-1-enyl]amino]cyclohex-2-en-1-ylidene]ammonioacetate CAS Name: 2-[[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-[[(E)-prop-1-enyl]amino]-1-cyclohex-2-enylidene]ammonio]acetate IUPAC Name: 2-[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-[[(E)-prop-1-enyl]amino]cyclohex-2-en-1-ylidene]azaniumylacetate Traditional Name: 2-[5-hydroxy-2-methoxy-5-methylol-3-[[(E)-prop-1-enyl]amino]cyclohex-2-en-1-ylidene]ammonioacetate Formula: C13H20N2O5 MolecularWeight: 284.3083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CNC1=C(C(=[NH+]CC(=O)[O-])CC(C1)(CO)O)OC

Isomeric SMILES

C/C=C/NC1=C(C(=[NH+]CC(=O)[O-])CC(C1)(CO)O)OC

InChI

InChI=1S/C13H20N2O5/c1-3-4-14-9-5-13(19,8-16)6-10(12(9)20-2)15-7-11(17)18/h3-4,14,16,19H,5-8H2,1-2H3,(H,17,18)/b4-3+,15-10?