1-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one

Systemtic Name: 1-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Openeye Name: 1-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one CAS Name: 1-[[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Traditional Name: 1-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Formula: C26H26NO4+ MolecularWeight: 416.48894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCC[NH+]2CC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CCC[NH+]2CC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C26H25NO4/c1-29-19-10-12-23(30-2)21(15-19)22-8-5-13-27(22)16-18-14-25(28)31-24-11-9-17-6-3-4-7-20(17)26(18)24/h3-4,6-7,9-12,14-15,22H,5,8,13,16H2,1-2H3/p+1/t22-/m1/s1