7-oxidanyl-4-[[4-(phenylcarbonyl)piperidin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 7-oxidanyl-4-[[4-(phenylcarbonyl)piperidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzoylpiperidin-1-ium-1-yl)methyl]-7-hydroxy-chromen-2-one CAS Name: 4-[(4-benzoyl-1-piperidin-1-iumyl)methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[(4-benzoylpiperidin-1-ium-1-yl)methyl]-7-hydroxychromen-2-one Traditional Name: 4-[(4-benzoylpiperidin-1-ium-1-yl)methyl]-7-hydroxy-coumarin Formula: C22H22NO4+ MolecularWeight: 364.41438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)C2=CC=CC=C2)CC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

C1C[NH+](CCC1C(=O)C2=CC=CC=C2)CC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C22H21NO4/c24-18-6-7-19-17(12-21(25)27-20(19)13-18)14-23-10-8-16(9-11-23)22(26)15-4-2-1-3-5-15/h1-7,12-13,16,24H,8-11,14H2/p+1