2-[4,7,10-tris(carboxymethyl)-4,10-dimethyl-1,7-diaza-4,10-diazoniacyclododec-1-yl]ethanoic acid

Systemtic Name: 2-[4,7,10-tris(carboxymethyl)-4,10-dimethyl-1,7-diaza-4,10-diazoniacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4,7,10-tris(carboxymethyl)-4,10-dimethyl-1,7-diaza-4,10-diazoniacyclododec-1-yl]acetic acid CAS Name: 2-[4,7,10-tris(carboxymethyl)-4,10-dimethyl-1,7-diaza-4,10-diazoniacyclododec-1-yl]acetic acid IUPAC Name: 2-[4,7,10-tris(carboxymethyl)-4,10-dimethyl-1,7-diaza-4,10-diazoniacyclododec-1-yl]acetic acid Traditional Name: 2-[4,7,10-tris(carboxymethyl)-4,10-dimethyl-1,7-diaza-4,10-diazoniacyclododec-1-yl]acetic acid Formula: C18H34N4O8+2 MolecularWeight: 434.48456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N4O8/c1-21(13-17(27)28)7-3-19(11-15(23)24)5-9-22(2,14-18(29)30)10-6-20(4-8-21)12-16(25)26/h3-14H2,1-2H3,(H2-2,23,24,25,26,27,28,29,30)/p+2