2-(6-acetyloxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl-butyl-dimethyl-azanium chloride

Systemtic Name: 2-(6-acetyloxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl-butyl-dimethyl-azanium chloride Openeye Name: 2-(6-acetoxy-2,5,7,8-tetramethyl-chroman-2-yl)ethyl-butyl-dimethyl-ammonium chloride CAS Name: 2-(6-acetyloxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)ethyl-butyl-dimethylammonium chloride IUPAC Name: 2-(6-acetyloxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl-butyl-dimethylazanium chloride Traditional Name: 2-(6-acetoxy-2,5,7,8-tetramethyl-chroman-2-yl)ethyl-butyl-dimethyl-ammonium chloride Formula: C23H38ClNO3 MolecularWeight: 412.00572

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](C)(C)CCC1(CCC2=C(C(=C(C(=C2O1)C)C)OC(=O)C)C)C.[Cl-]

Isomeric SMILES

CCCC[N+](C)(C)CCC1(CCC2=C(C(=C(C(=C2O1)C)C)OC(=O)C)C)C.[Cl-]

InChI

InChI=1S/C23H38NO3.ClH/c1-9-10-14-24(7,8)15-13-23(6)12-11-20-18(4)21(26-19(5)25)16(2)17(3)22(20)27-23;/h9-15H2,1-8H3;1H/q+1;/p-1