N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-benzothiazole-6-carboxamide Formula: C20H21ClN3OS+ MolecularWeight: 386.91824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC3=C(C=C2)N=CS3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC3=C(C=C2)N=CS3)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H20ClN3OS/c21-16-6-2-1-5-15(16)18(24-9-3-4-10-24)12-22-20(25)14-7-8-17-19(11-14)26-13-23-17/h1-2,5-8,11,13,18H,3-4,9-10,12H2,(H,22,25)/p+1/t18-/m0/s1