3-(4-chlorophenyl)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-chromen-4-one

Systemtic Name: 3-(4-chlorophenyl)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(4-chlorophenyl)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-7-hydroxy-chromen-4-one CAS Name: 3-(4-chlorophenyl)-8-[(2-ethyl-1-piperidin-1-iumyl)methyl]-7-hydroxy-1-benzopyran-4-one IUPAC Name: 3-(4-chlorophenyl)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-7-hydroxychromen-4-one Traditional Name: 3-(4-chlorophenyl)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-7-hydroxy-chromone Formula: C23H25ClNO3+ MolecularWeight: 398.9025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

CCC1CCCC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C23H24ClNO3/c1-2-17-5-3-4-12-25(17)13-19-21(26)11-10-18-22(27)20(14-28-23(18)19)15-6-8-16(24)9-7-15/h6-11,14,17,26H,2-5,12-13H2,1H3/p+1