N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-benzamide

Systemtic Name: N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: N-[2-(4,5-dimethylthiazol-2-yl)ethyl]-3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-[2-(4,5-dimethyl-2-thiazolyl)ethyl]-3-methoxy-4-[(1-methyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: N-[2-(4,5-dimethylthiazol-2-yl)ethyl]-3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C21H30N3O3S+ MolecularWeight: 404.5462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CCNC(=O)C2=CC(=C(C=C2)OC3CC[NH+](CC3)C)OC)C

Isomeric SMILES

CC1=C(SC(=N1)CCNC(=O)C2=CC(=C(C=C2)OC3CC[NH+](CC3)C)OC)C

InChI

InChI=1S/C21H29N3O3S/c1-14-15(2)28-20(23-14)7-10-22-21(25)16-5-6-18(19(13-16)26-4)27-17-8-11-24(3)12-9-17/h5-6,13,17H,7-12H2,1-4H3,(H,22,25)/p+1