4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-8-methyl-chromen-2-one CAS Name: 7-hydroxy-4-[[(2S)-2-(3-methoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-8-methyl-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-8-methylchromen-2-one Traditional Name: 7-hydroxy-4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-8-methyl-coumarin Formula: C22H24NO4+ MolecularWeight: 366.43026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCCC3C4=CC(=CC=C4)OC)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCC[C@H]3C4=CC(=CC=C4)OC)O

InChI

InChI=1S/C22H23NO4/c1-14-20(24)9-8-18-16(12-21(25)27-22(14)18)13-23-10-4-7-19(23)15-5-3-6-17(11-15)26-2/h3,5-6,8-9,11-12,19,24H,4,7,10,13H2,1-2H3/p+1/t19-/m0/s1