1-methyl-4,7,10-triaza-1-azoniacyclododecane-1,4,7,10-tetracarboxylic acid

Systemtic Name: 1-methyl-4,7,10-triaza-1-azoniacyclododecane-1,4,7,10-tetracarboxylic acid Openeye Name: 1-methyl-4,7,10-triaza-1-azoniacyclododecane-1,4,7,10-tetracarboxylic acid CAS Name: 1-methyl-4,7,10-triaza-1-azoniacyclododecane-1,4,7,10-tetracarboxylic acid IUPAC Name: 1-methyl-4,7,10-triaza-1-azoniacyclododecane-1,4,7,10-tetracarboxylic acid Traditional Name: 1-methyl-4,7,10-triaza-1-azoniacyclododecane-1,4,7,10-tetracarboxylic acid Formula: C13H23N4O8+ MolecularWeight: 363.34372

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CCN(CCN(CC1)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C[N+]1(CCN(CCN(CCN(CC1)C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C13H22N4O8/c1-17(13(24)25)8-6-15(11(20)21)4-2-14(10(18)19)3-5-16(7-9-17)12(22)23/h2-9H2,1H3,(H3-,18,19,20,21,22,23,24,25)/p+1