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

Systemtic Name: 2-[3-azanyl-5-(hydroxymethyl)-2-methoxy-5-oxidanyl-cyclohex-2-en-1-ylidene]azaniumylethanoate Openeye Name: 2-[3-amino-5-hydroxy-5-(hydroxymethyl)-2-methoxy-cyclohex-2-en-1-ylidene]ammonioacetate CAS Name: 2-[[3-amino-5-hydroxy-5-(hydroxymethyl)-2-methoxy-1-cyclohex-2-enylidene]ammonio]acetate IUPAC Name: 2-[3-amino-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-ylidene]azaniumylacetate Traditional Name: 2-(3-amino-5-hydroxy-2-methoxy-5-methylol-cyclohex-2-en-1-ylidene)ammonioacetate Formula: C10H16N2O5 MolecularWeight: 244.24444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16N2O5/c1-17-9-6(11)2-10(16,5-13)3-7(9)12-4-8(14)15/h13,16H,2-5,11H2,1H3,(H,14,15)