2,3-bis(oxidanyl)butanedioate; [(2R)-3,4-dihydro-2H-chromen-2-yl]methyl-[3-(2-oxidanylidene-1,3-diazinan-3-ium-1-yl)propyl]azanium

Systemtic Name: 2,3-bis(oxidanyl)butanedioate; [(2R)-3,4-dihydro-2H-chromen-2-yl]methyl-[3-(2-oxidanylidene-1,3-diazinan-3-ium-1-yl)propyl]azanium Openeye Name: [(2R)-chroman-2-yl]methyl-[3-(2-oxohexahydropyrimidin-3-ium-1-yl)propyl]ammonium; 2,3-dihydroxybutanedioate CAS Name: [(2R)-3,4-dihydro-2H-1-benzopyran-2-yl]methyl-[3-(2-oxo-1,3-diazinan-3-ium-1-yl)propyl]ammonium; 2,3-dihydroxybutanedioate IUPAC Name: [(2R)-3,4-dihydro-2H-chromen-2-yl]methyl-[3-(2-oxo-1,3-diazinan-3-ium-1-yl)propyl]azanium; 2,3-dihydroxybutanedioate Traditional Name: [(2R)-chroman-2-yl]methyl-[3-(2-ketohexahydropyrimidin-3-ium-1-yl)propyl]ammonium tartrate Formula: C21H31N3O8 MolecularWeight: 453.48614

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]C(=O)N(C1)CCC[NH2+]CC2CCC3=CC=CC=C3O2.C(C(C(=O)[O-])O)(C(=O)[O-])O

Isomeric SMILES

C1C[NH2+]C(=O)N(C1)CCC[NH2+]C[C@H]2CCC3=CC=CC=C3O2.C(C(C(=O)[O-])O)(C(=O)[O-])O

InChI

InChI=1S/C17H25N3O2.C4H6O6/c21-17-19-10-4-12-20(17)11-3-9-18-13-15-8-7-14-5-1-2-6-16(14)22-15;5-1(3(7)8)2(6)4(9)10/h1-2,5-6,15,18H,3-4,7-13H2,(H,19,21);1-2,5-6H,(H,7,8)(H,9,10)/t15-;/m1./s1