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

Systemtic Name: 2-[4,7,10-tris(carboxymethyl)-7-ethyl-4-methyl-1,10-diaza-4,7-diazoniacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4,7,10-tris(carboxymethyl)-7-ethyl-4-methyl-1,10-diaza-4,7-diazoniacyclododec-1-yl]acetic acid CAS Name: 2-[4,7,10-tris(carboxymethyl)-7-ethyl-4-methyl-1,10-diaza-4,7-diazoniacyclododec-1-yl]acetic acid IUPAC Name: 2-[4,7,10-tris(carboxymethyl)-7-ethyl-4-methyl-1,10-diaza-4,7-diazoniacyclododec-1-yl]acetic acid Traditional Name: 2-[4,7,10-tris(carboxymethyl)-7-ethyl-4-methyl-1,10-diaza-4,7-diazoniacyclododec-1-yl]acetic acid Formula: C19H36N4O8+2 MolecularWeight: 448.51114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H34N4O8/c1-3-23(15-19(30)31)9-7-21(13-17(26)27)5-4-20(12-16(24)25)6-8-22(2,10-11-23)14-18(28)29/h3-15H2,1-2H3,(H2-2,24,25,26,27,28,29,30,31)/p+2