(E)-1-(3,4-dimethoxyphenyl)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(3,4-dimethoxyphenyl)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-en-1-one Openeye Name: (E)-1-(3,4-dimethoxyphenyl)-3-(2-morpholinoquinolin-1-ium-3-yl)prop-2-en-1-one CAS Name: (E)-1-(3,4-dimethoxyphenyl)-3-[2-(4-morpholinyl)-3-quinolin-1-iumyl]-2-propen-1-one IUPAC Name: (E)-1-(3,4-dimethoxyphenyl)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-en-1-one Traditional Name: (E)-1-(3,4-dimethoxyphenyl)-3-(2-morpholinoquinolin-1-ium-3-yl)prop-2-en-1-one Formula: C24H25N2O4+ MolecularWeight: 405.4663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC3=CC=CC=C3[NH+]=C2N4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC3=CC=CC=C3[NH+]=C2N4CCOCC4)OC

InChI

InChI=1S/C24H24N2O4/c1-28-22-10-8-18(16-23(22)29-2)21(27)9-7-19-15-17-5-3-4-6-20(17)25-24(19)26-11-13-30-14-12-26/h3-10,15-16H,11-14H2,1-2H3/p+1/b9-7+