3-(4-chlorophenyl)-4-methyl-7-(2-morpholin-4-ium-4-ylethoxy)chromen-2-one

Systemtic Name: 3-(4-chlorophenyl)-4-methyl-7-(2-morpholin-4-ium-4-ylethoxy)chromen-2-one Openeye Name: 3-(4-chlorophenyl)-4-methyl-7-(2-morpholin-4-ium-4-ylethoxy)chromen-2-one CAS Name: 3-(4-chlorophenyl)-4-methyl-7-[2-(4-morpholin-4-iumyl)ethoxy]-1-benzopyran-2-one IUPAC Name: 3-(4-chlorophenyl)-4-methyl-7-(2-morpholin-4-ium-4-ylethoxy)chromen-2-one Traditional Name: 3-(4-chlorophenyl)-4-methyl-7-(2-morpholin-4-ium-4-ylethoxy)coumarin Formula: C22H23ClNO4+ MolecularWeight: 400.87532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC[NH+]3CCOCC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC[NH+]3CCOCC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClNO4/c1-15-19-7-6-18(27-13-10-24-8-11-26-12-9-24)14-20(19)28-22(25)21(15)16-2-4-17(23)5-3-16/h2-7,14H,8-13H2,1H3/p+1