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

Systemtic Name: dimethyl-[2-methyl-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]-tetradecan-2-yl-azanium Openeye Name: (1-carboxy-3-hydroxy-1-methyl-3-oxo-propyl)-dimethyl-(1-methyltridecyl)ammonium CAS Name: (1,4-dihydroxy-2-methyl-1,4-dioxobutan-2-yl)-dimethyl-tetradecan-2-ylammonium IUPAC Name: (1,4-dihydroxy-2-methyl-1,4-dioxobutan-2-yl)-dimethyl-tetradecan-2-ylazanium Traditional Name: (1-carboxy-3-hydroxy-3-keto-1-methyl-propyl)-dimethyl-(1-methyltridecyl)ammonium Formula: C21H42NO4+ MolecularWeight: 372.56248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H41NO4/c1-6-7-8-9-10-11-12-13-14-15-16-18(2)22(4,5)21(3,20(25)26)17-19(23)24/h18H,6-17H2,1-5H3,(H-,23,24,25,26)/p+1