2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(2-phenylphenyl)ethanamide

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(2-phenylphenyl)ethanamide Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(2-phenylphenyl)acetamide CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-N-(2-phenylphenyl)acetamide IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(2-phenylphenyl)acetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(2-phenylphenyl)acetamide Formula: C25H24N3OS+ MolecularWeight: 414.54256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H23N3OS/c29-24(26-20-12-5-4-11-19(20)18-9-2-1-3-10-18)17-28-16-8-14-22(28)25-27-21-13-6-7-15-23(21)30-25/h1-7,9-13,15,22H,8,14,16-17H2,(H,26,29)/p+1/t22-/m1/s1