4-(dodecanoylamino)butyl-dimethyl-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)azanium

Systemtic Name: 4-(dodecanoylamino)butyl-dimethyl-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)azanium Openeye Name: 4-(dodecanoylamino)butyl-(2-hydroxy-1,1-dimethyl-2-oxo-ethyl)-dimethyl-ammonium CAS Name: (1-hydroxy-2-methyl-1-oxopropan-2-yl)-dimethyl-[4-(1-oxododecylamino)butyl]ammonium IUPAC Name: 4-(dodecanoylamino)butyl-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-dimethylazanium Traditional Name: (2-hydroxy-2-keto-1,1-dimethyl-ethyl)-[4-(lauroylamino)butyl]-dimethyl-ammonium Formula: C22H45N2O3+ MolecularWeight: 385.6043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H44N2O3/c1-6-7-8-9-10-11-12-13-14-17-20(25)23-18-15-16-19-24(4,5)22(2,3)21(26)27/h6-19H2,1-5H3,(H-,23,25,26,27)/p+1