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

Systemtic Name: [(1R)-1-(1-adamantyl)ethyl]-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: [(1R)-1-(1-adamantyl)ethyl]-[(7-hydroxy-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: [(1R)-1-(1-adamantyl)ethyl]-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]ammonium IUPAC Name: [(1R)-1-(1-adamantyl)ethyl]-[(7-hydroxy-2-oxochromen-4-yl)methyl]azanium Traditional Name: [(1R)-1-(1-adamantyl)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:

CC(C12CC3CC(C1)CC(C3)C2)[NH2+]CC4=CC(=O)OC5=C4C=CC(=C5)O

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)[NH2+]CC4=CC(=O)OC5=C4C=CC(=C5)O

InChI

InChI=1S/C22H27NO3/c1-13(22-9-14-4-15(10-22)6-16(5-14)11-22)23-12-17-7-21(25)26-20-8-18(24)2-3-19(17)20/h2-3,7-8,13-16,23-24H,4-6,9-12H2,1H3/p+1/t13-,14?,15?,16?,22?/m1/s1