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

Systemtic Name: 4-(1,3-dithian-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-(1,3-dithian-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-(1,3-dithian-2-yl)-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-(1,3-dithian-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-(1,3-dithian-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C23H29N2OS2+ MolecularWeight: 413.61916

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC=C(C=C2)C3SCCCS3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC=C(C=C2)C3SCCCS3)C4=CC=CC=C4

InChI

InChI=1S/C23H28N2OS2/c26-22(19-9-11-20(12-10-19)23-27-15-6-16-28-23)24-17-21(25-13-4-5-14-25)18-7-2-1-3-8-18/h1-3,7-12,21,23H,4-6,13-17H2,(H,24,26)/p+1/t21-/m0/s1