(2-acetyloxy-4-oxidanyl-4-oxidanylidene-butyl)-[2-[4-(4-methoxyphenyl)butanoylamino]ethoxycarbonyl]-dimethyl-azanium

Systemtic Name: (2-acetyloxy-4-oxidanyl-4-oxidanylidene-butyl)-[2-[4-(4-methoxyphenyl)butanoylamino]ethoxycarbonyl]-dimethyl-azanium Openeye Name: (2-acetoxy-4-hydroxy-4-oxo-butyl)-[2-[4-(4-methoxyphenyl)butanoylamino]ethoxycarbonyl]-dimethyl-ammonium CAS Name: (2-acetyloxy-4-hydroxy-4-oxobutyl)-[2-[[4-(4-methoxyphenyl)-1-oxobutyl]amino]ethoxy-oxomethyl]-dimethylammonium IUPAC Name: (2-acetyloxy-4-hydroxy-4-oxobutyl)-[2-[4-(4-methoxyphenyl)butanoylamino]ethoxycarbonyl]-dimethylazanium Traditional Name: (2-acetoxy-4-hydroxy-4-keto-butyl)-[2-[4-(4-methoxyphenyl)butanoylamino]ethoxycarbonyl]-dimethyl-ammonium Formula: C22H33N2O8+ MolecularWeight: 453.50602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC(=O)O)C[N+](C)(C)C(=O)OCCNC(=O)CCCC1=CC=C(C=C1)OC

Isomeric SMILES

CC(=O)OC(CC(=O)O)C[N+](C)(C)C(=O)OCCNC(=O)CCCC1=CC=C(C=C1)OC

InChI

InChI=1S/C22H32N2O8/c1-16(25)32-19(14-21(27)28)15-24(2,3)22(29)31-13-12-23-20(26)7-5-6-17-8-10-18(30-4)11-9-17/h8-11,19H,5-7,12-15H2,1-4H3,(H-,23,26,27,28)/p+1