3-(4-methoxyphenyl)-2-methyl-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one

Systemtic Name: 3-(4-methoxyphenyl)-2-methyl-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 7-hydroxy-3-(4-methoxyphenyl)-2-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 7-hydroxy-3-(4-methoxyphenyl)-2-methyl-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(4-methoxyphenyl)-2-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 7-hydroxy-3-(4-methoxyphenyl)-2-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromone Formula: C22H24NO4+ MolecularWeight: 366.43026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H23NO4/c1-14-20(15-5-7-16(26-2)8-6-15)21(25)17-9-10-19(24)18(22(17)27-14)13-23-11-3-4-12-23/h5-10,24H,3-4,11-13H2,1-2H3/p+1