7-oxidanyl-4-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 7-oxidanyl-4-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 7-hydroxy-4-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 7-hydroxy-4-phenyl-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 7-hydroxy-4-phenyl-8-(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=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4)O

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4)O

InChI

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