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

Systemtic Name: dimethyl-[2-methyl-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]-octadecan-2-yl-azanium Openeye Name: (1-carboxy-3-hydroxy-1-methyl-3-oxo-propyl)-dimethyl-(1-methylheptadecyl)ammonium CAS Name: (1,4-dihydroxy-2-methyl-1,4-dioxobutan-2-yl)-dimethyl-octadecan-2-ylammonium IUPAC Name: (1,4-dihydroxy-2-methyl-1,4-dioxobutan-2-yl)-dimethyl-octadecan-2-ylazanium Traditional Name: (1-carboxy-3-hydroxy-3-keto-1-methyl-propyl)-dimethyl-(1-methylheptadecyl)ammonium Formula: C25H50NO4+ MolecularWeight: 428.6688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H49NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2)26(4,5)25(3,24(29)30)21-23(27)28/h22H,6-21H2,1-5H3,(H-,27,28,29,30)/p+1