3-chloranyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-ium-1-yl)ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-ium-1-yl)ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(2R)-2-(5-methyl-2-furyl)-2-(4-methylpiperidin-1-ium-1-yl)ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(2R)-2-(5-methyl-2-furanyl)-2-(4-methyl-1-piperidin-1-iumyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-ium-1-yl)ethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2R)-2-(5-methyl-2-furyl)-2-(4-methylpiperidin-1-ium-1-yl)ethyl]benzothiophene-2-carboxamide Formula: C22H26ClN2O2S+ MolecularWeight: 417.97204

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)C4=CC=C(O4)C

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)C4=CC=C(O4)C

InChI

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