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

Systemtic Name: 2-[4,7-bis(carboxymethyl)-4-ethyl-7-methyl-1,10-diaza-4,7-diazoniacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4,7-bis(carboxymethyl)-4-ethyl-7-methyl-1,10-diaza-4,7-diazoniacyclododec-1-yl]acetic acid CAS Name: 2-[4,7-bis(carboxymethyl)-4-ethyl-7-methyl-1,10-diaza-4,7-diazoniacyclododec-1-yl]acetic acid IUPAC Name: 2-[4,7-bis(carboxymethyl)-4-ethyl-7-methyl-1,10-diaza-4,7-diazoniacyclododec-1-yl]acetic acid Traditional Name: 2-[4,7-bis(carboxymethyl)-4-ethyl-7-methyl-1,10-diaza-4,7-diazoniacyclododec-1-yl]acetic acid Formula: C17H34N4O6+2 MolecularWeight: 390.47506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H32N4O6/c1-3-21(14-17(26)27)9-7-19(12-15(22)23)6-4-18-5-8-20(2,10-11-21)13-16(24)25/h18H,3-14H2,1-2H3,(H-2,22,23,24,25,26,27)/p+2