N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-2-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]acetamide Formula: C23H31N4O4S+ MolecularWeight: 459.58164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C[NH+]3CCC(CC3)C(=O)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C[NH+]3CCC(CC3)C(=O)N4CCCC4)OC

InChI

InChI=1S/C23H30N4O4S/c1-30-19-6-5-17(13-20(19)31-2)18-15-32-23(24-18)25-21(28)14-26-11-7-16(8-12-26)22(29)27-9-3-4-10-27/h5-6,13,15-16H,3-4,7-12,14H2,1-2H3,(H,24,25,28)/p+1