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

Systemtic Name: 6-ethyl-4-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[(2S)-2-(4-methoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]coumarin Formula: C23H26NO4+ MolecularWeight: 380.45684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCCC3C4=CC=C(C=C4)OC)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCC[C@H]3C4=CC=C(C=C4)OC)O

InChI

InChI=1S/C23H25NO4/c1-3-15-11-19-17(12-23(26)28-22(19)13-21(15)25)14-24-10-4-5-20(24)16-6-8-18(27-2)9-7-16/h6-9,11-13,20,25H,3-5,10,14H2,1-2H3/p+1/t20-/m0/s1