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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CCC)[N+](C)(C)C(C)(C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(CCC)[N+](C)(C)C(C)(C)C(=O)O

InChI

InChI=1S/C22H44N2O3/c1-7-9-10-11-12-13-14-15-16-18-20(25)23-19(17-8-2)24(5,6)22(3,4)21(26)27/h19H,7-18H2,1-6H3,(H-,23,25,26,27)/p+1