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

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

CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]C3CC([NH2+]C(C3)(C)C)(C)C

Isomeric SMILES

CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]C3CC([NH2+]C(C3)(C)C)(C)C

InChI

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