4-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-2-phenyl-1,3-thiazole

Systemtic Name: 4-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-2-phenyl-1,3-thiazole Openeye Name: 4-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-2-phenyl-thiazole CAS Name: 4-[[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-2-phenylthiazole IUPAC Name: 4-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-2-phenyl-1,3-thiazole Traditional Name: 4-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-2-phenyl-thiazole Formula: C22H25N2O2S+ MolecularWeight: 381.5111

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCC[NH+]2CC3=CSC(=N3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCC[NH+]2CC3=CSC(=N3)C4=CC=CC=C4)OC

InChI

InChI=1S/C22H24N2O2S/c1-25-18-10-11-19(21(13-18)26-2)20-9-6-12-24(20)14-17-15-27-22(23-17)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,20H,6,9,12,14H2,1-2H3/p+1/t20-/m1/s1