ethyl 2-[4,8,11-tris(2-ethoxy-2-oxidanylidene-ethyl)-4,11-diaza-1,8-diazoniacyclotetradec-1-yl]ethanoate

Systemtic Name: ethyl 2-[4,8,11-tris(2-ethoxy-2-oxidanylidene-ethyl)-4,11-diaza-1,8-diazoniacyclotetradec-1-yl]ethanoate Openeye Name: ethyl 2-[4,8,11-tris(2-ethoxy-2-oxo-ethyl)-4,11-diaza-1,8-diazoniacyclotetradec-1-yl]acetate CAS Name: 2-[4,8,11-tris(2-ethoxy-2-oxoethyl)-4,11-diaza-1,8-diazoniacyclotetradec-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4,8,11-tris(2-ethoxy-2-oxoethyl)-4,11-diaza-1,8-diazoniacyclotetradec-1-yl]acetate Traditional Name: 2-[4,8,11-tris(2-ethoxy-2-keto-ethyl)-4,11-diaza-1,8-diazoniacyclotetradec-1-yl]acetic acid ethyl ester Formula: C26H50N4O8+2 MolecularWeight: 546.6972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H48N4O8/c1-5-35-23(31)19-27-11-9-12-29(21-25(33)37-7-3)17-18-30(22-26(34)38-8-4)14-10-13-28(16-15-27)20-24(32)36-6-2/h5-22H2,1-4H3/p+2