4-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 4-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 4-[[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 4-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7-methyl-coumarin Formula: C23H26NO4+ MolecularWeight: 380.45684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCC3C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC[C@@H]3C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C23H25NO4/c1-15-6-8-18-16(12-23(25)28-22(18)11-15)14-24-10-4-5-20(24)19-13-17(26-2)7-9-21(19)27-3/h6-9,11-13,20H,4-5,10,14H2,1-3H3/p+1/t20-/m1/s1