1-adamantylmethyl-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C[NH2+]CC4=CC(=O)OC5=C4C=CC(=C5)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C[NH2+]CC4=CC(=O)OC5=C4C=CC(=C5)O

InChI

InChI=1S/C21H25NO3/c23-17-1-2-18-16(6-20(24)25-19(18)7-17)11-22-12-21-8-13-3-14(9-21)5-15(4-13)10-21/h1-2,6-7,13-15,22-23H,3-5,8-12H2/p+1