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

Systemtic Name: 3-(3-methoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-3-(3-methoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)chromen-2-one CAS Name: 7-hydroxy-3-(3-methoxyphenyl)-8-(4-morpholin-4-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 7-hydroxy-3-(3-methoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)chromen-2-one Traditional Name: 7-hydroxy-3-(3-methoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)coumarin Formula: C21H22NO5+ MolecularWeight: 368.40308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC3=C(C(=C(C=C3)O)C[NH+]4CCOCC4)OC2=O

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC3=C(C(=C(C=C3)O)C[NH+]4CCOCC4)OC2=O

InChI

InChI=1S/C21H21NO5/c1-25-16-4-2-3-14(11-16)17-12-15-5-6-19(23)18(20(15)27-21(17)24)13-22-7-9-26-10-8-22/h2-6,11-12,23H,7-10,13H2,1H3/p+1