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

Systemtic Name: 6-chloranyl-7-ethyl-4-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-7-ethyl-4-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-ethyl-4-[[(2R)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-ethyl-4-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-ethyl-4-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]coumarin Formula: C21H24ClN2O2+ MolecularWeight: 371.88046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCCC3C4=CC=CN4C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCC[C@@H]3C4=CC=CN4C)Cl

InChI

InChI=1S/C21H23ClN2O2/c1-3-14-10-20-16(12-17(14)22)15(11-21(25)26-20)13-24-9-5-7-19(24)18-6-4-8-23(18)2/h4,6,8,10-12,19H,3,5,7,9,13H2,1-2H3/p+1/t19-/m1/s1