4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]butyramide Formula: C23H27ClN3OS+ MolecularWeight: 428.99798

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)CCCC2=NC3=CC=CC=C3S2)C4=CC=CC=C4Cl

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)CCCC2=NC3=CC=CC=C3S2)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H26ClN3OS/c24-18-9-2-1-8-17(18)20(27-14-5-6-15-27)16-25-22(28)12-7-13-23-26-19-10-3-4-11-21(19)29-23/h1-4,8-11,20H,5-7,12-16H2,(H,25,28)/p+1/t20-/m0/s1