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

Systemtic Name: 2-[5-(hydroxymethyl)-2-methoxy-5-oxidanyl-3-(1-oxidanylpropan-2-ylamino)cyclohex-2-en-1-ylidene]azaniumylethanoate Openeye Name: 2-[5-hydroxy-5-(hydroxymethyl)-3-[(2-hydroxy-1-methyl-ethyl)amino]-2-methoxy-cyclohex-2-en-1-ylidene]ammonioacetate CAS Name: 2-[[5-hydroxy-5-(hydroxymethyl)-3-(1-hydroxypropan-2-ylamino)-2-methoxy-1-cyclohex-2-enylidene]ammonio]acetate IUPAC Name: 2-[5-hydroxy-5-(hydroxymethyl)-3-(1-hydroxypropan-2-ylamino)-2-methoxycyclohex-2-en-1-ylidene]azaniumylacetate Traditional Name: 2-[5-hydroxy-3-[(2-hydroxy-1-methyl-ethyl)amino]-2-methoxy-5-methylol-cyclohex-2-en-1-ylidene]ammonioacetate Formula: C13H22N2O6 MolecularWeight: 302.32358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O6/c1-8(6-16)15-10-4-13(20,7-17)3-9(12(10)21-2)14-5-11(18)19/h8,15-17,20H,3-7H2,1-2H3,(H,18,19)