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

Systemtic Name: 1-adamantyl-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: 1-adamantyl-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: 1-adamantyl-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl]ammonium IUPAC Name: 1-adamantyl-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]azanium Traditional Name: 1-adamantyl-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methyl]ammonium Formula: C21H25ClNO2+ MolecularWeight: 358.8817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C21H24ClNO2/c1-12-2-19-17(7-18(12)22)16(6-20(24)25-19)11-23-21-8-13-3-14(9-21)5-15(4-13)10-21/h2,6-7,13-15,23H,3-5,8-11H2,1H3/p+1