N-(1,3-benzothiazol-2-ylmethyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]-N-methylacetamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-methyl-acetamide Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CCCC3C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CCC[C@@H]3C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C23H27N3O3S/c1-25(14-22-24-18-7-4-5-9-21(18)30-22)23(27)15-26-12-6-8-19(26)17-13-16(28-2)10-11-20(17)29-3/h4-5,7,9-11,13,19H,6,8,12,14-15H2,1-3H3/p+1/t19-/m1/s1