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

Systemtic Name: 4-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxidanyl-7-phenyl-chromen-2-one Openeye Name: 6-hydroxy-4-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-phenyl-chromen-2-one CAS Name: 6-hydroxy-4-[(4-methyl-1-piperidin-1-iumyl)methyl]-7-phenyl-1-benzopyran-2-one IUPAC Name: 6-hydroxy-4-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-phenylchromen-2-one Traditional Name: 6-hydroxy-4-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-phenyl-coumarin Formula: C22H24NO3+ MolecularWeight: 350.43086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC(=O)OC3=CC(=C(C=C23)O)C4=CC=CC=C4

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC(=O)OC3=CC(=C(C=C23)O)C4=CC=CC=C4

InChI

InChI=1S/C22H23NO3/c1-15-7-9-23(10-8-15)14-17-11-22(25)26-21-13-18(20(24)12-19(17)21)16-5-3-2-4-6-16/h2-6,11-13,15,24H,7-10,14H2,1H3/p+1