3-(4-chlorophenyl)-4-methyl-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-chromen-2-one

Systemtic Name: 3-(4-chlorophenyl)-4-methyl-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-chromen-2-one Openeye Name: 3-(4-chlorophenyl)-7-hydroxy-4-methyl-8-(morpholin-4-ium-4-ylmethyl)chromen-2-one CAS Name: 3-(4-chlorophenyl)-7-hydroxy-4-methyl-8-(4-morpholin-4-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 3-(4-chlorophenyl)-7-hydroxy-4-methyl-8-(morpholin-4-ium-4-ylmethyl)chromen-2-one Traditional Name: 3-(4-chlorophenyl)-7-hydroxy-4-methyl-8-(morpholin-4-ium-4-ylmethyl)coumarin Formula: C21H21ClNO4+ MolecularWeight: 386.84874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCOCC3)O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCOCC3)O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClNO4/c1-13-16-6-7-18(24)17(12-23-8-10-26-11-9-23)20(16)27-21(25)19(13)14-2-4-15(22)5-3-14/h2-7,24H,8-12H2,1H3/p+1