N-[2-(cyanomethylsulfanyl)phenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[(2R)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Formula: C19H23N4OS+ MolecularWeight: 355.47712

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCC[NH+]2CC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

CN1C=CC=C1[C@H]2CCC[NH+]2CC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C19H22N4OS/c1-22-11-4-7-16(22)17-8-5-12-23(17)14-19(24)21-15-6-2-3-9-18(15)25-13-10-20/h2-4,6-7,9,11,17H,5,8,12-14H2,1H3,(H,21,24)/p+1/t17-/m1/s1