(6-ethyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-bis(2-methylpropyl)azanium

Systemtic Name: (6-ethyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-bis(2-methylpropyl)azanium Openeye Name: (6-ethyl-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methyl-diisobutyl-ammonium CAS Name: (6-ethyl-7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methyl-bis(2-methylpropyl)ammonium IUPAC Name: (6-ethyl-7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl-bis(2-methylpropyl)azanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-4-methyl-chromen-8-yl)methyl-diisobutyl-ammonium Formula: C21H32NO3+ MolecularWeight: 346.48368

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+](CC(C)C)CC(C)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+](CC(C)C)CC(C)C)O

InChI

InChI=1S/C21H31NO3/c1-7-16-9-17-15(6)8-19(23)25-21(17)18(20(16)24)12-22(10-13(2)3)11-14(4)5/h8-9,13-14,24H,7,10-12H2,1-6H3/p+1