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

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3-thienyl)thiazole-4-carboxamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-(3-thiophenyl)-4-thiazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3-thienyl)thiazole-4-carboxamide Formula: C20H22N3OS2+ MolecularWeight: 384.53818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3OS2/c24-19(18-14-26-20(22-18)16-8-11-25-13-16)21-17-6-9-23(10-7-17)12-15-4-2-1-3-5-15/h1-5,8,11,13-14,17H,6-7,9-10,12H2,(H,21,24)/p+1