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

Systemtic Name: 6-chloranyl-4-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-chloro-7-hydroxy-4-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 6-chloro-7-hydroxy-4-methyl-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-4-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 6-chloro-7-hydroxy-4-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]coumarin Formula: C17H21ClNO3+ MolecularWeight: 322.80654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C3C(=CC(=C2O)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/p+1