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

Systemtic Name: 4-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 4-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 4-[[(2R)-2-(4-ethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 7-methyl-4-[[(2R)-2-p-phenetylpyrrolidin-1-ium-1-yl]methyl]coumarin Formula: C23H26NO3+ MolecularWeight: 364.45744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCC[NH+]2CC3=CC(=O)OC4=C3C=CC(=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CCC[NH+]2CC3=CC(=O)OC4=C3C=CC(=C4)C

InChI

InChI=1S/C23H25NO3/c1-3-26-19-9-7-17(8-10-19)21-5-4-12-24(21)15-18-14-23(25)27-22-13-16(2)6-11-20(18)22/h6-11,13-14,21H,3-5,12,15H2,1-2H3/p+1/t21-/m1/s1