2-[4,7-bis(carboxymethyl)-7-methanoyl-1,4,10-triaza-7-azoniacyclododec-1-yl]ethanoic acid

Systemtic Name: 2-[4,7-bis(carboxymethyl)-7-methanoyl-1,4,10-triaza-7-azoniacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4,7-bis(carboxymethyl)-7-formyl-1,4,10-triaza-7-azoniacyclododec-1-yl]acetic acid CAS Name: 2-[4,7-bis(carboxymethyl)-7-formyl-1,4,10-triaza-7-azoniacyclododec-1-yl]acetic acid IUPAC Name: 2-[4,7-bis(carboxymethyl)-7-formyl-1,4,10-triaza-7-azoniacyclododec-1-yl]acetic acid Traditional Name: 2-[4,7-bis(carboxymethyl)-7-formyl-1,4,10-triaza-7-azoniacyclododec-1-yl]acetic acid Formula: C15H27N4O7+ MolecularWeight: 375.39748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CC[N+](CCN1)(CC(=O)O)C=O)CC(=O)O)CC(=O)O

Isomeric SMILES

C1CN(CCN(CC[N+](CCN1)(CC(=O)O)C=O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C15H26N4O7/c20-12-19(11-15(25)26)7-2-16-1-3-17(9-13(21)22)4-5-18(6-8-19)10-14(23)24/h12,16H,1-11H2,(H2-,21,22,23,24,25,26)/p+1