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

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-phenylpropyl)acetamide CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-phenylpropyl)acetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-phenylpropyl)acetamide Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NCCCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC(=O)NCCCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3OS/c26-21(23-14-6-10-17-8-2-1-3-9-17)16-25-15-7-12-19(25)22-24-18-11-4-5-13-20(18)27-22/h1-5,8-9,11,13,19H,6-7,10,12,14-16H2,(H,23,26)/p+1/t19-/m1/s1