7-ethyl-4-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 7-ethyl-4-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-ethyl-4-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-ethyl-4-[[(2R)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-ethyl-4-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]coumarin Formula: C21H25N2O2+ MolecularWeight: 337.4354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCC3C4=CC=CN4C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC[C@@H]3C4=CC=CN4C

InChI

InChI=1S/C21H24N2O2/c1-3-15-8-9-17-16(13-21(24)25-20(17)12-15)14-23-11-5-7-19(23)18-6-4-10-22(18)2/h4,6,8-10,12-13,19H,3,5,7,11,14H2,1-2H3/p+1/t19-/m1/s1