[(5S)-3-azaniumyl-5-(hydroxymethyl)-2-methoxy-5-oxidanyl-cyclohex-2-en-1-ylidene]azanium dihydroxide

Systemtic Name: [(5S)-3-azaniumyl-5-(hydroxymethyl)-2-methoxy-5-oxidanyl-cyclohex-2-en-1-ylidene]azanium dihydroxide Openeye Name: [(5S)-3-azaniumyl-5-hydroxy-5-(hydroxymethyl)-2-methoxy-cyclohex-2-en-1-ylidene]ammonium dihydroxide CAS Name: [(5S)-3-ammonio-5-hydroxy-5-(hydroxymethyl)-2-methoxy-1-cyclohex-2-enylidene]ammonium dihydroxide IUPAC Name: [(5S)-3-azaniumyl-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-ylidene]azanium dihydroxide Traditional Name: [(5S)-3-ammonio-5-hydroxy-2-methoxy-5-methylol-cyclohex-2-en-1-ylidene]ammonium dihydroxide Formula: C8H18N2O5 MolecularWeight: 222.23892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(CC(CC1=[NH2+])(CO)O)[NH3+].[OH-].[OH-]

Isomeric SMILES

COC1=C(C[C@](CC1=[NH2+])(CO)O)[NH3+].[OH-].[OH-]

InChI

InChI=1S/C8H14N2O3.2H2O/c1-13-7-5(9)2-8(12,4-11)3-6(7)10;;/h9,11-12H,2-4,10H2,1H3;2*1H2/t8-;;/m1../s1