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

Systemtic Name: 1-adamantyl-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: 1-adamantyl-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: 1-adamantyl-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl]ammonium IUPAC Name: 1-adamantyl-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]azanium Traditional Name: 1-adamantyl-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]ammonium Formula: C22H28NO2+ MolecularWeight: 338.46322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C22H27NO2/c1-13-3-19-18(8-21(24)25-20(19)4-14(13)2)12-23-22-9-15-5-16(10-22)7-17(6-15)11-22/h3-4,8,15-17,23H,5-7,9-12H2,1-2H3/p+1