4-(1-azoniabicyclo[2.2.2]octan-1-yl)-3-tetradecoxycarbonyloxy-butanoate

Systemtic Name: 4-(1-azoniabicyclo[2.2.2]octan-1-yl)-3-tetradecoxycarbonyloxy-butanoate Openeye Name: 4-quinuclidin-1-ium-1-yl-3-tetradecoxycarbonyloxy-butanoate CAS Name: 4-(1-azoniabicyclo[2.2.2]octan-1-yl)-3-[oxo(tetradecoxy)methoxy]butanoate IUPAC Name: 4-(1-azoniabicyclo[2.2.2]octan-1-yl)-3-tetradecoxycarbonyloxybutanoate Traditional Name: 3-myristyloxycarbonyloxy-4-quinuclidin-1-ium-1-yl-butyrate Formula: C26H47NO5 MolecularWeight: 453.65508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)OC(CC(=O)[O-])C[N+]12CCC(CC1)CC2

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)OC(CC(=O)[O-])C[N+]12CCC(CC1)CC2

InChI

InChI=1S/C26H47NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-31-26(30)32-24(21-25(28)29)22-27-17-14-23(15-18-27)16-19-27/h23-24H,2-22H2,1H3