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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]thiazole-4-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-[4-(1-pyrrolidin-1-iumylmethyl)-2-thiazolyl]-4-thiazolecarboxamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide Traditional Name: 2-(3,4-dimethoxyphenyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]thiazole-4-carboxamide Formula: C20H23N4O3S2+ MolecularWeight: 431.55162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)NC3=NC(=CS3)C[NH+]4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)NC3=NC(=CS3)C[NH+]4CCCC4)OC

InChI

InChI=1S/C20H22N4O3S2/c1-26-16-6-5-13(9-17(16)27-2)19-22-15(12-28-19)18(25)23-20-21-14(11-29-20)10-24-7-3-4-8-24/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,21,23,25)/p+1