N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-(3-thienyl)thiazole-4-carboxamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-2-(3-thiophenyl)-4-thiazolecarboxamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide Traditional Name: N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-2-(3-thienyl)thiazole-4-carboxamide Formula: C20H21ClN3OS2+ MolecularWeight: 418.98324

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CSC(=N2)C3=CSC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CSC(=N2)C3=CSC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN3OS2/c21-16-3-1-14(2-4-16)11-24-8-5-17(6-9-24)22-19(25)18-13-27-20(23-18)15-7-10-26-12-15/h1-4,7,10,12-13,17H,5-6,8-9,11H2,(H,22,25)/p+1