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

Systemtic Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzothiazole Formula: C20H23N2O2S+ MolecularWeight: 355.47382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCC[NH+]2CC3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCC[NH+]2CC3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C20H22N2O2S/c1-23-14-9-10-15(18(12-14)24-2)17-7-5-11-22(17)13-20-21-16-6-3-4-8-19(16)25-20/h3-4,6,8-10,12,17H,5,7,11,13H2,1-2H3/p+1/t17-/m1/s1