(4-butyl-7-methyl-2-oxidanyl-5-oxidanylidene-6,7,8,8a-tetrahydrochromen-6-yl)methyl-dimethyl-azanium

Systemtic Name: (4-butyl-7-methyl-2-oxidanyl-5-oxidanylidene-6,7,8,8a-tetrahydrochromen-6-yl)methyl-dimethyl-azanium Openeye Name: (4-butyl-2-hydroxy-7-methyl-5-oxo-6,7,8,8a-tetrahydrochromen-6-yl)methyl-dimethyl-ammonium CAS Name: (4-butyl-2-hydroxy-7-methyl-5-oxo-6,7,8,8a-tetrahydro-1-benzopyran-6-yl)methyl-dimethylammonium IUPAC Name: (4-butyl-2-hydroxy-7-methyl-5-oxo-6,7,8,8a-tetrahydrochromen-6-yl)methyl-dimethylazanium Traditional Name: (4-butyl-2-hydroxy-5-keto-7-methyl-6,7,8,8a-tetrahydrochromen-6-yl)methyl-dimethyl-ammonium Formula: C17H28NO3+ MolecularWeight: 294.40912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(CC(C(C2=O)C[NH+](C)C)C)OC(=C1)O

Isomeric SMILES

CCCCC1=C2C(CC(C(C2=O)C[NH+](C)C)C)OC(=C1)O

InChI

InChI=1S/C17H27NO3/c1-5-6-7-12-9-15(19)21-14-8-11(2)13(10-18(3)4)17(20)16(12)14/h9,11,13-14,19H,5-8,10H2,1-4H3/p+1