(4-oxidanyl-7-oxidanylidene-3-phenyl-5,6,8,8a-tetrahydrochromen-8-yl)methyl-di(propan-2-yl)azanium

Systemtic Name: (4-oxidanyl-7-oxidanylidene-3-phenyl-5,6,8,8a-tetrahydrochromen-8-yl)methyl-di(propan-2-yl)azanium Openeye Name: (4-hydroxy-7-oxo-3-phenyl-5,6,8,8a-tetrahydrochromen-8-yl)methyl-diisopropyl-ammonium CAS Name: (4-hydroxy-7-oxo-3-phenyl-5,6,8,8a-tetrahydro-1-benzopyran-8-yl)methyl-di(propan-2-yl)ammonium IUPAC Name: (4-hydroxy-7-oxo-3-phenyl-5,6,8,8a-tetrahydrochromen-8-yl)methyl-di(propan-2-yl)azanium Traditional Name: (4-hydroxy-7-keto-3-phenyl-5,6,8,8a-tetrahydrochromen-8-yl)methyl-diisopropyl-ammonium Formula: C22H30NO3+ MolecularWeight: 356.4785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO3/c1-14(2)23(15(3)4)12-18-20(24)11-10-17-21(25)19(13-26-22(17)18)16-8-6-5-7-9-16/h5-9,13-15,18,22,25H,10-12H2,1-4H3/p+1