4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-N-phenyl-benzamide

Systemtic Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-N-phenyl-benzamide Openeye Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-N-phenyl-benzamide CAS Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]methyl]-N-phenylbenzamide IUPAC Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-N-phenylbenzamide Traditional Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-N-phenyl-benzamide Formula: C25H24N3OS+ MolecularWeight: 414.54256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

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