6-chloranyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-4-phenyl-chromen-2-one

Systemtic Name: 6-chloranyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-4-phenyl-chromen-2-one Openeye Name: 6-chloro-7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-chromen-2-one CAS Name: 6-chloro-7-hydroxy-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-phenyl-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenylchromen-2-one Traditional Name: 6-chloro-7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-coumarin Formula: C22H23ClNO3+ MolecularWeight: 384.87592

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C3C(=CC(=C2O)Cl)C(=CC(=O)O3)C4=CC=CC=C4

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C3C(=CC(=C2O)Cl)C(=CC(=O)O3)C4=CC=CC=C4

InChI

InChI=1S/C22H22ClNO3/c1-14-7-9-24(10-8-14)13-18-21(26)19(23)11-17-16(12-20(25)27-22(17)18)15-5-3-2-4-6-15/h2-6,11-12,14,26H,7-10,13H2,1H3/p+1