2,2-bis[2-cyanoethanoyl-(1-hydroxyethyl)-methyl-azaniumyl]hexanedioate

Systemtic Name: 2,2-bis[2-cyanoethanoyl-(1-hydroxyethyl)-methyl-azaniumyl]hexanedioate Openeye Name: 2,2-bis[(2-cyanoacetyl)-(1-hydroxyethyl)-methyl-ammonio]hexanedioate CAS Name: 2,2-bis[(2-cyano-1-oxoethyl)-(1-hydroxyethyl)-methylammonio]hexanedioate IUPAC Name: 2,2-bis[(2-cyanoacetyl)-(1-hydroxyethyl)-methylazaniumyl]hexanedioate Traditional Name: 2,2-bis[(2-cyanoacetyl)-(1-hydroxyethyl)-methyl-ammonio]adipate Formula: C18H26N4O8 MolecularWeight: 426.42104

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Descriptors Computed from Structure

Canonical SMILES:

CC([N+](C)(C(=O)CC#N)C(CCCC(=O)[O-])(C(=O)[O-])[N+](C)(C(C)O)C(=O)CC#N)O

Isomeric SMILES

CC([N+](C)(C(=O)CC#N)C(CCCC(=O)[O-])(C(=O)[O-])[N+](C)(C(C)O)C(=O)CC#N)O

InChI

InChI=1S/C18H26N4O8/c1-12(23)21(3,14(25)7-10-19)18(17(29)30,9-5-6-16(27)28)22(4,13(2)24)15(26)8-11-20/h12-13,23-24H,5-9H2,1-4H3