3-(3-methoxyphenyl)-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 3-(3-methoxyphenyl)-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 7-hydroxy-3-(3-methoxyphenyl)-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 7-hydroxy-3-(3-methoxyphenyl)-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 7-hydroxy-3-(3-methoxyphenyl)-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 7-hydroxy-3-(3-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=CC(=C1)C2=CC3=C(C(=C(C=C3)O)C[NH+]4CCCC4)OC2=O

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC3=C(C(=C(C=C3)O)C[NH+]4CCCC4)OC2=O

InChI

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