N-[4-(dimethylamino)-1-(1,3-thiazol-2-ylcarbonyl)piperidin-1-ium-1-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[4-(dimethylamino)-1-(1,3-thiazol-2-ylcarbonyl)piperidin-1-ium-1-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[4-(dimethylamino)-1-(thiazole-2-carbonyl)piperidin-1-ium-1-yl]-3,4-dimethoxy-benzamide CAS Name: N-[4-(dimethylamino)-1-[oxo(2-thiazolyl)methyl]-1-piperidin-1-iumyl]-3,4-dimethoxybenzamide IUPAC Name: N-[4-(dimethylamino)-1-(1,3-thiazole-2-carbonyl)piperidin-1-ium-1-yl]-3,4-dimethoxybenzamide Traditional Name: N-[4-(dimethylamino)-1-(thiazole-2-carbonyl)piperidin-1-ium-1-yl]-3,4-dimethoxy-benzamide Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CC[N+](CC1)(C(=O)C2=NC=CS2)NC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(C)C1CC[N+](CC1)(C(=O)C2=NC=CS2)NC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H26N4O4S/c1-23(2)15-7-10-24(11-8-15,20(26)19-21-9-12-29-19)22-18(25)14-5-6-16(27-3)17(13-14)28-4/h5-6,9,12-13,15H,7-8,10-11H2,1-4H3/p+1