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

Systemtic Name: 6-oxidanyl-7-phenyl-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 6-hydroxy-7-phenyl-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 6-hydroxy-7-phenyl-4-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 6-hydroxy-7-phenyl-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 6-hydroxy-7-phenyl-4-(piperidin-1-ium-1-ylmethyl)coumarin Formula: C21H22NO3+ MolecularWeight: 336.40428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC(=O)OC3=CC(=C(C=C23)O)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC(=O)OC3=CC(=C(C=C23)O)C4=CC=CC=C4

InChI

InChI=1S/C21H21NO3/c23-19-12-18-16(14-22-9-5-2-6-10-22)11-21(24)25-20(18)13-17(19)15-7-3-1-4-8-15/h1,3-4,7-8,11-13,23H,2,5-6,9-10,14H2/p+1