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

Systemtic Name: [(4-carboxy-2,2-dimethyl-6-oxidanyl-octanoyl)amino]methyl-dimethyl-[2-oxidanyl-3-(trimethylazaniumyl)propyl]azanium Openeye Name: [(4-carboxy-6-hydroxy-2,2-dimethyl-octanoyl)amino]methyl-[2-hydroxy-3-(trimethylammonio)propyl]-dimethyl-ammonium CAS Name: [(4-carboxy-6-hydroxy-2,2-dimethyl-1-oxooctyl)amino]methyl-[2-hydroxy-3-(trimethylammonio)propyl]-dimethylammonium IUPAC Name: [(4-carboxy-6-hydroxy-2,2-dimethyloctanoyl)amino]methyl-[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazanium Traditional Name: [(4-carboxy-6-hydroxy-2,2-dimethyl-octanoyl)amino]methyl-[2-hydroxy-3-(trimethylammonio)propyl]-dimethyl-ammonium Formula: C20H43N3O5+2 MolecularWeight: 405.57252

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H41N3O5/c1-9-16(24)10-15(18(26)27)11-20(2,3)19(28)21-14-23(7,8)13-17(25)12-22(4,5)6/h15-17,24-25H,9-14H2,1-8H3/p+2