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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)[N+]1(CCCCC1)C(=O)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(C)[N+]1(CCCCC1)C(=O)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H26N4O4S/c1-23(2)24(10-6-5-7-11-24)19(26)15-13-29-20(21-15)22-18(25)14-8-9-16(27-3)17(12-14)28-4/h8-9,12-13H,5-7,10-11H2,1-4H3/p+1