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

Systemtic Name: [3-(4-bromophenyl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-azanium Openeye Name: [3-(4-bromophenyl)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium CAS Name: [3-(4-bromophenyl)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [3-(4-bromophenyl)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethylazanium Traditional Name: [3-(4-bromophenyl)-4-hydroxy-7-keto-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium Formula: C18H21BrNO3+ MolecularWeight: 379.26824

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1C2C(=C(C(=CO2)C3=CC=C(C=C3)Br)O)CCC1=O

Isomeric SMILES

C[NH+](C)CC1C2C(=C(C(=CO2)C3=CC=C(C=C3)Br)O)CCC1=O

InChI

InChI=1S/C18H20BrNO3/c1-20(2)9-14-16(21)8-7-13-17(22)15(10-23-18(13)14)11-3-5-12(19)6-4-11/h3-6,10,14,18,22H,7-9H2,1-2H3/p+1