6-chloranyl-5,7-dimethyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]chromen-2-one

Systemtic Name: 6-chloranyl-5,7-dimethyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 6-chloro-5,7-dimethyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 6-chloro-5,7-dimethyl-4-[(4-methyl-1-piperidin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-5,7-dimethyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 6-chloro-5,7-dimethyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]coumarin Formula: C18H23ClNO2+ MolecularWeight: 320.83372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC(=O)OC3=C2C(=C(C(=C3)C)Cl)C

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC(=O)OC3=C2C(=C(C(=C3)C)Cl)C

InChI

InChI=1S/C18H22ClNO2/c1-11-4-6-20(7-5-11)10-14-9-16(21)22-15-8-12(2)18(19)13(3)17(14)15/h8-9,11H,4-7,10H2,1-3H3/p+1