(1-azanyl-4-methyl-5-oxidanylidene-hexadecan-4-yl)-dimethyl-[2-methyl-1,3-bis(oxidanyl)-1,3-bis(oxidanylidene)propan-2-yl]azanium

Systemtic Name: (1-azanyl-4-methyl-5-oxidanylidene-hexadecan-4-yl)-dimethyl-[2-methyl-1,3-bis(oxidanyl)-1,3-bis(oxidanylidene)propan-2-yl]azanium Openeye Name: [1-(3-aminopropyl)-1-methyl-2-oxo-tridecyl]-(1-carboxy-2-hydroxy-1-methyl-2-oxo-ethyl)-dimethyl-ammonium CAS Name: (1-amino-4-methyl-5-oxohexadecan-4-yl)-(1,3-dihydroxy-2-methyl-1,3-dioxopropan-2-yl)-dimethylammonium IUPAC Name: (1-amino-4-methyl-5-oxohexadecan-4-yl)-(1,3-dihydroxy-2-methyl-1,3-dioxopropan-2-yl)-dimethylazanium Traditional Name: [1-(3-aminopropyl)-2-keto-1-methyl-tridecyl]-(1-carboxy-2-hydroxy-2-keto-1-methyl-ethyl)-dimethyl-ammonium Formula: C23H45N2O5+ MolecularWeight: 429.6138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C(C)(CCCN)[N+](C)(C)C(C)(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C(C)(CCCN)[N+](C)(C)C(C)(C(=O)O)C(=O)O

InChI

InChI=1S/C23H44N2O5/c1-6-7-8-9-10-11-12-13-14-16-19(26)22(2,17-15-18-24)25(4,5)23(3,20(27)28)21(29)30/h6-18,24H2,1-5H3,(H-,27,28,29,30)/p+1