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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3,4-dimethoxyphenyl)thiazole-4-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-thiazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3,4-dimethoxyphenyl)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)NC3CC[NH+](CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)OC

InChI

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