[3-acetyloxy-4-[3-(4-decanoyl-7-oxa-1-aza-4-azoniabicyclo[2.2.1]heptan-3-yl)propylamino]-2,2-dimethyl-4-oxidanylidene-butyl] ethanoate

Systemtic Name: [3-acetyloxy-4-[3-(4-decanoyl-7-oxa-1-aza-4-azoniabicyclo[2.2.1]heptan-3-yl)propylamino]-2,2-dimethyl-4-oxidanylidene-butyl] ethanoate Openeye Name: [3-acetoxy-4-[3-(4-decanoyl-7-oxa-1-aza-4-azoniabicyclo[2.2.1]heptan-3-yl)propylamino]-2,2-dimethyl-4-oxo-butyl] acetate CAS Name: acetic acid [3-acetyloxy-2,2-dimethyl-4-oxo-4-[3-[4-(1-oxodecyl)-7-oxa-1-aza-4-azoniabicyclo[2.2.1]heptan-3-yl]propylamino]butyl] ester IUPAC Name: [3-acetyloxy-4-[3-(4-decanoyl-7-oxa-1-aza-4-azoniabicyclo[2.2.1]heptan-3-yl)propylamino]-2,2-dimethyl-4-oxobutyl] acetate Traditional Name: acetic acid [3-acetoxy-4-[3-(4-capryl-7-oxa-1-aza-4-azoniabicyclo[2.2.1]heptan-3-yl)propylamino]-4-keto-2,2-dimethyl-butyl] ester Formula: C27H48N3O7+ MolecularWeight: 526.68592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)[N+]12CCN(O1)CC2CCCNC(=O)C(C(C)(C)COC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCC(=O)[N+]12CCN(O1)CC2CCCNC(=O)C(C(C)(C)COC(=O)C)OC(=O)C

InChI

InChI=1S/C27H47N3O7/c1-6-7-8-9-10-11-12-15-24(33)30-18-17-29(37-30)19-23(30)14-13-16-28-26(34)25(36-22(3)32)27(4,5)20-35-21(2)31/h23,25H,6-20H2,1-5H3/p+1