(2-acetyloxy-4-oxidanyl-4-oxidanylidene-butyl)-dimethyl-[[6-[2-(4-nitrophenyl)ethoxy]-6-oxidanylidene-hexyl]carbamoyl]azanium

Systemtic Name: (2-acetyloxy-4-oxidanyl-4-oxidanylidene-butyl)-dimethyl-[[6-[2-(4-nitrophenyl)ethoxy]-6-oxidanylidene-hexyl]carbamoyl]azanium Openeye Name: (2-acetoxy-4-hydroxy-4-oxo-butyl)-dimethyl-[[6-[2-(4-nitrophenyl)ethoxy]-6-oxo-hexyl]carbamoyl]ammonium CAS Name: (2-acetyloxy-4-hydroxy-4-oxobutyl)-dimethyl-[[[6-[2-(4-nitrophenyl)ethoxy]-6-oxohexyl]amino]-oxomethyl]ammonium IUPAC Name: (2-acetyloxy-4-hydroxy-4-oxobutyl)-dimethyl-[[6-[2-(4-nitrophenyl)ethoxy]-6-oxohexyl]carbamoyl]azanium Traditional Name: (2-acetoxy-4-hydroxy-4-keto-butyl)-[[6-keto-6-[2-(4-nitrophenyl)ethoxy]hexyl]carbamoyl]-dimethyl-ammonium Formula: C23H34N3O9+ MolecularWeight: 496.53076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC(=O)O)C[N+](C)(C)C(=O)NCCCCCC(=O)OCCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC(CC(=O)O)C[N+](C)(C)C(=O)NCCCCCC(=O)OCCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C23H33N3O9/c1-17(27)35-20(15-21(28)29)16-26(2,3)23(31)24-13-6-4-5-7-22(30)34-14-12-18-8-10-19(11-9-18)25(32)33/h8-11,20H,4-7,12-16H2,1-3H3,(H-,24,28,29,31)/p+1