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

Systemtic Name: 4-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one CAS Name: 4-[[(2R)-2-(4-ethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7-methoxychromen-2-one Traditional Name: 7-methoxy-4-[[(2R)-2-p-phenetylpyrrolidin-1-ium-1-yl]methyl]coumarin Formula: C23H26NO4+ MolecularWeight: 380.45684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO4/c1-3-27-18-8-6-16(7-9-18)21-5-4-12-24(21)15-17-13-23(25)28-22-14-19(26-2)10-11-20(17)22/h6-11,13-14,21H,3-5,12,15H2,1-2H3/p+1/t21-/m1/s1