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

Systemtic Name: dimethyl-[(4-oxidanyl-7-oxidanylidene-3-phenoxy-5,6,8,8a-tetrahydrochromen-8-yl)methyl]azanium Openeye Name: (4-hydroxy-7-oxo-3-phenoxy-5,6,8,8a-tetrahydrochromen-8-yl)methyl-dimethyl-ammonium CAS Name: (4-hydroxy-7-oxo-3-phenoxy-5,6,8,8a-tetrahydro-1-benzopyran-8-yl)methyl-dimethylammonium IUPAC Name: (4-hydroxy-7-oxo-3-phenoxy-5,6,8,8a-tetrahydrochromen-8-yl)methyl-dimethylazanium Traditional Name: (4-hydroxy-7-keto-3-phenoxy-5,6,8,8a-tetrahydrochromen-8-yl)methyl-dimethyl-ammonium Formula: C18H22NO4+ MolecularWeight: 316.37158

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1C2C(=C(C(=CO2)OC3=CC=CC=C3)O)CCC1=O

Isomeric SMILES

C[NH+](C)CC1C2C(=C(C(=CO2)OC3=CC=CC=C3)O)CCC1=O

InChI

InChI=1S/C18H21NO4/c1-19(2)10-14-15(20)9-8-13-17(21)16(11-22-18(13)14)23-12-6-4-3-5-7-12/h3-7,11,14,18,21H,8-10H2,1-2H3/p+1