6-chloranyl-4-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 6-chloranyl-4-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 6-chloro-4-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 6-chloro-4-methyl-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 6-chloro-4-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 6-chloro-2-keto-4-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C17H20ClNO3 MolecularWeight: 321.7986

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C3C(=CC(=C2[O-])Cl)C(=CC(=O)O3)C

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C3C(=CC(=C2[O-])Cl)C(=CC(=O)O3)C

InChI

InChI=1S/C17H20ClNO3/c1-10-3-5-19(6-4-10)9-13-16(21)14(18)8-12-11(2)7-15(20)22-17(12)13/h7-8,10,21H,3-6,9H2,1-2H3