1-adamantyl-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium

Systemtic Name: 1-adamantyl-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: 1-adamantyl-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: 1-adamantyl-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]ammonium IUPAC Name: 1-adamantyl-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl]azanium Traditional Name: 1-adamantyl-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl]ammonium Formula: C22H28NO3+ MolecularWeight: 354.46262

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]C34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]C34CC5CC(C3)CC(C5)C4)O

InChI

InChI=1S/C22H27NO3/c1-2-16-6-18-17(7-21(25)26-20(18)8-19(16)24)12-23-22-9-13-3-14(10-22)5-15(4-13)11-22/h6-8,13-15,23-24H,2-5,9-12H2,1H3/p+1