(2R)-2-(2,5-dimethoxyphenyl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-1-ium

Systemtic Name: (2R)-2-(2,5-dimethoxyphenyl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-1-ium Openeye Name: (2R)-2-(2,5-dimethoxyphenyl)-1-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methyl]pyrrolidin-1-ium CAS Name: (2R)-2-(2,5-dimethoxyphenyl)-1-[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methyl]pyrrolidin-1-ium IUPAC Name: (2R)-2-(2,5-dimethoxyphenyl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-1-ium Traditional Name: (2R)-2-(2,5-dimethoxyphenyl)-1-[(5-pyrrolidinosulfonyl-2-furyl)methyl]pyrrolidin-1-ium Formula: C21H29N2O5S+ MolecularWeight: 421.53036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCC[NH+]2CC3=CC=C(O3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CCC[NH+]2CC3=CC=C(O3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H28N2O5S/c1-26-16-7-9-20(27-2)18(14-16)19-6-5-11-22(19)15-17-8-10-21(28-17)29(24,25)23-12-3-4-13-23/h7-10,14,19H,3-6,11-13,15H2,1-2H3/p+1/t19-/m1/s1