dimethyl-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-[1-(octadecanoylamino)butyl]azanium

Systemtic Name: dimethyl-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-[1-(octadecanoylamino)butyl]azanium Openeye Name: (2-hydroxy-1,1-dimethyl-2-oxo-ethyl)-dimethyl-[1-(octadecanoylamino)butyl]ammonium CAS Name: (1-hydroxy-2-methyl-1-oxopropan-2-yl)-dimethyl-[1-(1-oxooctadecylamino)butyl]ammonium IUPAC Name: (1-hydroxy-2-methyl-1-oxopropan-2-yl)-dimethyl-[1-(octadecanoylamino)butyl]azanium Traditional Name: (2-hydroxy-2-keto-1,1-dimethyl-ethyl)-dimethyl-(1-stearamidobutyl)ammonium Formula: C28H57N2O3+ MolecularWeight: 469.76378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H56N2O3/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26(31)29-25(23-8-2)30(5,6)28(3,4)27(32)33/h25H,7-24H2,1-6H3,(H-,29,31,32,33)/p+1