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

Systemtic Name: 4-(1,3-dithiolan-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-(1,3-dithiolan-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-(1,3-dithiolan-2-yl)-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-(1,3-dithiolan-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-(1,3-dithiolan-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C22H27N2OS2+ MolecularWeight: 399.59258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC=C(C=C2)C3SCCS3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC=C(C=C2)C3SCCS3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N2OS2/c25-21(18-8-10-19(11-9-18)22-26-14-15-27-22)23-16-20(24-12-4-5-13-24)17-6-2-1-3-7-17/h1-3,6-11,20,22H,4-5,12-16H2,(H,23,25)/p+1/t20-/m0/s1