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

Systemtic Name: dimethyl-[[2-methyl-3-(2-methylphenyl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl]azanium Openeye Name: [4-hydroxy-2-methyl-3-(o-tolyl)-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium CAS Name: [4-hydroxy-2-methyl-3-(2-methylphenyl)-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [4-hydroxy-2-methyl-3-(2-methylphenyl)-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethylazanium Traditional Name: [4-hydroxy-7-keto-2-methyl-3-(o-tolyl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium Formula: C20H26NO3+ MolecularWeight: 328.42534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(OC3C(C(=O)CCC3=C2O)C[NH+](C)C)C

Isomeric SMILES

CC1=CC=CC=C1C2=C(OC3C(C(=O)CCC3=C2O)C[NH+](C)C)C

InChI

InChI=1S/C20H25NO3/c1-12-7-5-6-8-14(12)18-13(2)24-20-15(19(18)23)9-10-17(22)16(20)11-21(3)4/h5-8,16,20,23H,9-11H2,1-4H3/p+1