3-chloranyl-N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperidin-1-ium-1-yl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperidin-1-ium-1-yl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(2R)-2-(2-furyl)-2-(4-methylpiperidin-1-ium-1-yl)ethyl]-6-methyl-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(2R)-2-(2-furanyl)-2-(4-methyl-1-piperidin-1-iumyl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperidin-1-ium-1-yl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2R)-2-(2-furyl)-2-(4-methylpiperidin-1-ium-1-yl)ethyl]-6-methyl-benzothiophene-2-carboxamide Formula: C22H26ClN2O2S+ MolecularWeight: 417.97204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2=C(C3=C(S2)C=C(C=C3)C)Cl)C4=CC=CO4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)C2=C(C3=C(S2)C=C(C=C3)C)Cl)C4=CC=CO4

InChI

InChI=1S/C22H25ClN2O2S/c1-14-7-9-25(10-8-14)17(18-4-3-11-27-18)13-24-22(26)21-20(23)16-6-5-15(2)12-19(16)28-21/h3-6,11-12,14,17H,7-10,13H2,1-2H3,(H,24,26)/p+1/t17-/m1/s1