7-methyl-5-oxidanyl-4-phenyl-6-(piperidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 7-methyl-5-oxidanyl-4-phenyl-6-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 5-hydroxy-7-methyl-4-phenyl-6-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 5-hydroxy-7-methyl-4-phenyl-6-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 5-hydroxy-7-methyl-4-phenyl-6-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 5-hydroxy-7-methyl-4-phenyl-6-(piperidin-1-ium-1-ylmethyl)coumarin Formula: C22H24NO3+ MolecularWeight: 350.43086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=O)O2)C3=CC=CC=C3)C(=C1C[NH+]4CCCCC4)O

Isomeric SMILES

CC1=CC2=C(C(=CC(=O)O2)C3=CC=CC=C3)C(=C1C[NH+]4CCCCC4)O

InChI

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