2-(2-cyanophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 2-(2-cyanophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 2-(2-cyanophenyl)sulfanyl-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 2-[(2-cyanophenyl)thio]-N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 2-(2-cyanophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 2-[(2-cyanophenyl)thio]-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C24H24N3O2S+ MolecularWeight: 418.53126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)C4=CC=CO4

InChI

InChI=1S/C24H23N3O2S/c25-16-18-8-1-3-11-22(18)30-23-12-4-2-9-19(23)24(28)26-17-20(21-10-7-15-29-21)27-13-5-6-14-27/h1-4,7-12,15,20H,5-6,13-14,17H2,(H,26,28)/p+1/t20-/m1/s1