(6-chloranyl-3,4-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (6-chloranyl-3,4-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium Openeye Name: (6-chloro-7-hydroxy-3,4-dimethyl-2-oxo-chromen-8-yl)methyl-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ammonium CAS Name: (6-chloro-7-hydroxy-3,4-dimethyl-2-oxo-1-benzopyran-8-yl)methyl-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (6-chloro-7-hydroxy-3,4-dimethyl-2-oxochromen-8-yl)methyl-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium Traditional Name: (6-chloro-7-hydroxy-2-keto-3,4-dimethyl-chromen-8-yl)methyl-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ammonium Formula: C21H31ClN2O3+2 MolecularWeight: 394.93544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]C3CC([NH2+]C(C3)(C)C)(C)C)C

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]C3CC([NH2+]C(C3)(C)C)(C)C)C

InChI

InChI=1S/C21H29ClN2O3/c1-11-12(2)19(26)27-18-14(11)7-16(22)17(25)15(18)10-23-13-8-20(3,4)24-21(5,6)9-13/h7,13,23-25H,8-10H2,1-6H3/p+2