4-(4-methoxyphenyl)-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 4-(4-methoxyphenyl)-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 7-hydroxy-4-(4-methoxyphenyl)-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 7-hydroxy-4-(4-methoxyphenyl)-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-(4-methoxyphenyl)-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 7-hydroxy-4-(4-methoxyphenyl)-8-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C21H22NO4+ MolecularWeight: 352.40368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3C[NH+]4CCCC4)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3C[NH+]4CCCC4)O

InChI

InChI=1S/C21H21NO4/c1-25-15-6-4-14(5-7-15)17-12-20(24)26-21-16(17)8-9-19(23)18(21)13-22-10-2-3-11-22/h4-9,12,23H,2-3,10-11,13H2,1H3/p+1