3-(4-chlorophenyl)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 3-(4-chlorophenyl)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 3-(4-chlorophenyl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 3-(4-chlorophenyl)-7-hydroxy-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 3-(4-chlorophenyl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 3-(4-chlorophenyl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)coumarin Formula: C21H21ClNO3+ MolecularWeight: 370.84934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C21H20ClNO3/c22-16-7-4-14(5-8-16)17-12-15-6-9-19(24)18(20(15)26-21(17)25)13-23-10-2-1-3-11-23/h4-9,12,24H,1-3,10-11,13H2/p+1