2-(2-cyanophenyl)sulfanyl-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide

Systemtic Name: 2-(2-cyanophenyl)sulfanyl-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide Openeye Name: 2-(2-cyanophenyl)sulfanyl-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide CAS Name: 2-[(2-cyanophenyl)thio]-N-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]benzamide IUPAC Name: 2-(2-cyanophenyl)sulfanyl-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide Traditional Name: 2-[(2-cyanophenyl)thio]-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide Formula: C21H24N3OS+ MolecularWeight: 366.49976

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CNC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C21H23N3OS/c1-2-24-13-7-9-17(24)15-23-21(25)18-10-4-6-12-20(18)26-19-11-5-3-8-16(19)14-22/h3-6,8,10-12,17H,2,7,9,13,15H2,1H3,(H,23,25)/p+1/t17-/m1/s1