2-[4-(carboxymethyl)-7-(2-piperazin-1-ylethyl)-1,4,7-triazonan-1-yl]ethanoic acid

Systemtic Name: 2-[4-(carboxymethyl)-7-(2-piperazin-1-ylethyl)-1,4,7-triazonan-1-yl]ethanoic acid Openeye Name: 2-[4-(carboxymethyl)-7-(2-piperazin-1-ylethyl)-1,4,7-triazonan-1-yl]acetic acid CAS Name: 2-[4-(carboxymethyl)-7-[2-(1-piperazinyl)ethyl]-1,4,7-triazonan-1-yl]acetic acid IUPAC Name: 2-[4-(carboxymethyl)-7-(2-piperazin-1-ylethyl)-1,4,7-triazonan-1-yl]acetic acid Traditional Name: 2-[4-(carboxymethyl)-7-(2-piperazinoethyl)-1,4,7-triazonan-1-yl]acetic acid Formula: C16H31N5O4 MolecularWeight: 357.44844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCN2CCN(CCN(CC2)CC(=O)O)CC(=O)O

Isomeric SMILES

C1CN(CCN1)CCN2CCN(CCN(CC2)CC(=O)O)CC(=O)O

InChI

InChI=1S/C16H31N5O4/c22-15(23)13-20-9-7-19(6-5-18-3-1-17-2-4-18)8-10-21(12-11-20)14-16(24)25/h17H,1-14H2,(H,22,23)(H,24,25)