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

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(2-methylpropyl)ethanamide Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-isobutyl-acetamide CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(2-methylpropyl)acetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-isobutyl-acetamide Formula: C17H24N3OS+ MolecularWeight: 318.45696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C[NH+]1CCCC1C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)CNC(=O)C[NH+]1CCC[C@@H]1C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H23N3OS/c1-12(2)10-18-16(21)11-20-9-5-7-14(20)17-19-13-6-3-4-8-15(13)22-17/h3-4,6,8,12,14H,5,7,9-11H2,1-2H3,(H,18,21)/p+1/t14-/m1/s1