2-(3,4-dimethoxyphenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiazole-4-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-thiazolecarboxamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-(3,4-dimethoxyphenyl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiazole-4-carboxamide Formula: C24H28N3O3S+ MolecularWeight: 438.56242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4)OC

InChI

InChI=1S/C24H27N3O3S/c1-29-21-10-9-17(13-22(21)30-2)24-26-20(16-31-24)23(28)25-14-18-7-3-4-8-19(18)15-27-11-5-6-12-27/h3-4,7-10,13,16H,5-6,11-12,14-15H2,1-2H3,(H,25,28)/p+1