1-adamantyl-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl]azanium

Systemtic Name: 1-adamantyl-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: 1-adamantyl-[(7-methoxy-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: 1-adamantyl-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methyl]ammonium IUPAC Name: 1-adamantyl-[(7-methoxy-2-oxochromen-4-yl)methyl]azanium Traditional Name: 1-adamantyl-[(2-keto-7-methoxy-chromen-4-yl)methyl]ammonium Formula: C21H26NO3+ MolecularWeight: 340.43604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25NO3/c1-24-17-2-3-18-16(7-20(23)25-19(18)8-17)12-22-21-9-13-4-14(10-21)6-15(5-13)11-21/h2-3,7-8,13-15,22H,4-6,9-12H2,1H3/p+1