1-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one

Systemtic Name: 1-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Openeye Name: 1-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one CAS Name: 1-[[(2S)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Traditional Name: 1-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Formula: C26H26NO4+ MolecularWeight: 416.48894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO4/c1-29-19-10-11-21(24(15-19)30-2)22-8-5-13-27(22)16-18-14-25(28)31-23-12-9-17-6-3-4-7-20(17)26(18)23/h3-4,6-7,9-12,14-15,22H,5,8,13,16H2,1-2H3/p+1/t22-/m0/s1