[(6-aminocarbonyl-4-carboxy-2,2-dimethyl-octanoyl)amino]methyl-dimethyl-[2-oxidanyl-3-(trimethylazaniumyl)propyl]azanium

Systemtic Name: [(6-aminocarbonyl-4-carboxy-2,2-dimethyl-octanoyl)amino]methyl-dimethyl-[2-oxidanyl-3-(trimethylazaniumyl)propyl]azanium Openeye Name: [(6-carbamoyl-4-carboxy-2,2-dimethyl-octanoyl)amino]methyl-[2-hydroxy-3-(trimethylammonio)propyl]-dimethyl-ammonium CAS Name: [(6-carbamoyl-4-carboxy-2,2-dimethyl-1-oxooctyl)amino]methyl-[2-hydroxy-3-(trimethylammonio)propyl]-dimethylammonium IUPAC Name: [(6-carbamoyl-4-carboxy-2,2-dimethyloctanoyl)amino]methyl-[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazanium Traditional Name: [(6-carbamoyl-4-carboxy-2,2-dimethyl-octanoyl)amino]methyl-[2-hydroxy-3-(trimethylammonio)propyl]-dimethyl-ammonium Formula: C21H44N4O5+2 MolecularWeight: 432.59786

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(C)(C)C(=O)NC[N+](C)(C)CC(C[N+](C)(C)C)O)C(=O)O)C(=O)N

Isomeric SMILES

CCC(CC(CC(C)(C)C(=O)NC[N+](C)(C)CC(C[N+](C)(C)C)O)C(=O)O)C(=O)N

InChI

InChI=1S/C21H42N4O5/c1-9-15(18(22)27)10-16(19(28)29)11-21(2,3)20(30)23-14-25(7,8)13-17(26)12-24(4,5)6/h15-17,26H,9-14H2,1-8H3,(H2-2,22,23,27,28,29,30)/p+2