3-[3,3-bis(2-carboxyethyl)-2-(carboxymethyl)-1,3-diazinan-3-ium-1-yl]propanoic acid

Systemtic Name: 3-[3,3-bis(2-carboxyethyl)-2-(carboxymethyl)-1,3-diazinan-3-ium-1-yl]propanoic acid Openeye Name: 3-[3,3-bis(2-carboxyethyl)-2-(carboxymethyl)hexahydropyrimidin-3-ium-1-yl]propanoic acid CAS Name: 3-[3,3-bis(2-carboxyethyl)-2-(carboxymethyl)-1,3-diazinan-3-ium-1-yl]propanoic acid IUPAC Name: 3-[3,3-bis(2-carboxyethyl)-2-(carboxymethyl)-1,3-diazinan-3-ium-1-yl]propanoic acid Traditional Name: 3-[3,3-bis(2-carboxyethyl)-2-(carboxymethyl)hexahydropyrimidin-3-ium-1-yl]propionic acid Formula: C15H25N2O8+ MolecularWeight: 361.3676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C([N+](C1)(CCC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O

Isomeric SMILES

C1CN(C([N+](C1)(CCC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O

InChI

InChI=1S/C15H24N2O8/c18-12(19)2-6-16-5-1-7-17(8-3-13(20)21,9-4-14(22)23)11(16)10-15(24)25/h11H,1-10H2,(H3-,18,19,20,21,22,23,24,25)/p+1