[3-(2-bromanylphenoxy)-2-methyl-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-azanium

Systemtic Name: [3-(2-bromanylphenoxy)-2-methyl-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-azanium Openeye Name: [3-(2-bromophenoxy)-4-hydroxy-2-methyl-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium CAS Name: [3-(2-bromophenoxy)-4-hydroxy-2-methyl-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [3-(2-bromophenoxy)-4-hydroxy-2-methyl-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethylazanium Traditional Name: [3-(2-bromophenoxy)-4-hydroxy-7-keto-2-methyl-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium Formula: C19H23BrNO4+ MolecularWeight: 409.29422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+](C)C)O)OC3=CC=CC=C3Br

Isomeric SMILES

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+](C)C)O)OC3=CC=CC=C3Br

InChI

InChI=1S/C19H22BrNO4/c1-11-18(25-16-7-5-4-6-14(16)20)17(23)12-8-9-15(22)13(10-21(2)3)19(12)24-11/h4-7,13,19,23H,8-10H2,1-3H3/p+1