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

Systemtic Name: 7-ethyl-4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-ethyl-4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-ethyl-4-[[(2S)-2-(3-methoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-ethyl-4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]coumarin Formula: C23H26NO3+ MolecularWeight: 364.45744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCC3C4=CC(=CC=C4)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC[C@H]3C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H25NO3/c1-3-16-9-10-20-18(14-23(25)27-22(20)12-16)15-24-11-5-8-21(24)17-6-4-7-19(13-17)26-2/h4,6-7,9-10,12-14,21H,3,5,8,11,15H2,1-2H3/p+1/t21-/m0/s1