ethyl 2-[4,7-bis(2-ethoxy-2-oxidanylidene-ethyl)-4,10-diaza-1,7-diazoniacyclododec-1-yl]ethanoate

Systemtic Name: ethyl 2-[4,7-bis(2-ethoxy-2-oxidanylidene-ethyl)-4,10-diaza-1,7-diazoniacyclododec-1-yl]ethanoate Openeye Name: ethyl 2-[4,7-bis(2-ethoxy-2-oxo-ethyl)-4,10-diaza-1,7-diazoniacyclododec-1-yl]acetate CAS Name: 2-[4,7-bis(2-ethoxy-2-oxoethyl)-4,10-diaza-1,7-diazoniacyclododec-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4,7-bis(2-ethoxy-2-oxoethyl)-4,10-diaza-1,7-diazoniacyclododec-1-yl]acetate Traditional Name: 2-[4,7-bis(2-ethoxy-2-keto-ethyl)-4,10-diaza-1,7-diazoniacyclododec-1-yl]acetic acid ethyl ester Formula: C20H40N4O6+2 MolecularWeight: 432.5548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+]1CCNCC[NH+](CCN(CC1)CC(=O)OCC)CC(=O)OCC

Isomeric SMILES

CCOC(=O)C[NH+]1CCNCC[NH+](CCN(CC1)CC(=O)OCC)CC(=O)OCC

InChI

InChI=1S/C20H38N4O6/c1-4-28-18(25)15-22-9-7-21-8-10-23(16-19(26)29-5-2)12-14-24(13-11-22)17-20(27)30-6-3/h21H,4-17H2,1-3H3/p+2