[4-[2-ethyl-2-[[3-methyl-4-(trimethylazaniumyl)butanoyl]oxymethyl]butoxy]-2-nitrooxy-4-oxidanylidene-butyl]-trimethyl-azanium

Systemtic Name: [4-[2-ethyl-2-[[3-methyl-4-(trimethylazaniumyl)butanoyl]oxymethyl]butoxy]-2-nitrooxy-4-oxidanylidene-butyl]-trimethyl-azanium Openeye Name: [4-[2-ethyl-2-[[3-methyl-4-(trimethylammonio)butanoyl]oxymethyl]butoxy]-2-nitrooxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: [4-[2-ethyl-2-[[3-methyl-1-oxo-4-(trimethylammonio)butoxy]methyl]butoxy]-2-nitrooxy-4-oxobutyl]-trimethylammonium IUPAC Name: [4-[2-ethyl-2-[[3-methyl-4-(trimethylazaniumyl)butanoyl]oxymethyl]butoxy]-2-nitrooxy-4-oxobutyl]-trimethylazanium Traditional Name: [4-[2-ethyl-2-[[3-methyl-4-(trimethylammonio)butanoyl]oxymethyl]butoxy]-4-keto-2-nitrooxy-butyl]-trimethyl-ammonium Formula: C22H45N3O7+2 MolecularWeight: 463.6086

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(COC(=O)CC(C)C[N+](C)(C)C)COC(=O)CC(C[N+](C)(C)C)O[N+](=O)[O-]

Isomeric SMILES

CCC(CC)(COC(=O)CC(C)C[N+](C)(C)C)COC(=O)CC(C[N+](C)(C)C)O[N+](=O)[O-]

InChI

InChI=1S/C22H45N3O7/c1-10-22(11-2,16-30-20(26)12-18(3)14-24(4,5)6)17-31-21(27)13-19(32-23(28)29)15-25(7,8)9/h18-19H,10-17H2,1-9H3/q+2