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

Systemtic Name: 2-(2-dodecyloctadecanoylamino)butyl-dimethyl-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)azanium Openeye Name: 2-(2-dodecyloctadecanoylamino)butyl-(2-hydroxy-1,1-dimethyl-2-oxo-ethyl)-dimethyl-ammonium CAS Name: 2-[(2-dodecyl-1-oxooctadecyl)amino]butyl-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-dimethylammonium IUPAC Name: 2-(2-dodecyloctadecanoylamino)butyl-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-dimethylazanium Traditional Name: (2-hydroxy-2-keto-1,1-dimethyl-ethyl)-[2-(2-lauryloctadecanoylamino)butyl]-dimethyl-ammonium Formula: C40H81N2O3+ MolecularWeight: 638.08274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H80N2O3/c1-8-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36(33-31-29-27-25-20-18-16-14-12-9-2)38(43)41-37(10-3)35-42(6,7)40(4,5)39(44)45/h36-37H,8-35H2,1-7H3,(H-,41,43,44,45)/p+1