icosan-2-yl-dimethyl-[2-methyl-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]azanium

Systemtic Name: icosan-2-yl-dimethyl-[2-methyl-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]azanium Openeye Name: (1-carboxy-3-hydroxy-1-methyl-3-oxo-propyl)-dimethyl-(1-methylnonadecyl)ammonium CAS Name: (1,4-dihydroxy-2-methyl-1,4-dioxobutan-2-yl)-eicosan-2-yl-dimethylammonium IUPAC Name: (1,4-dihydroxy-2-methyl-1,4-dioxobutan-2-yl)-icosan-2-yl-dimethylazanium Traditional Name: (1-carboxy-3-hydroxy-3-keto-1-methyl-propyl)-dimethyl-(1-methylnonadecyl)ammonium Formula: C27H54NO4+ MolecularWeight: 456.72196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C)[N+](C)(C)C(C)(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C)[N+](C)(C)C(C)(CC(=O)O)C(=O)O

InChI

InChI=1S/C27H53NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(2)28(4,5)27(3,26(31)32)23-25(29)30/h24H,6-23H2,1-5H3,(H-,29,30,31,32)/p+1