(2S,4R)-1-(1-methylpiperidin-1-ium-4-yl)-N-propan-2-yl-4-pyridin-2-ylsulfanyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-1-(1-methylpiperidin-1-ium-4-yl)-N-propan-2-yl-4-pyridin-2-ylsulfanyl-pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-N-isopropyl-1-(1-methylpiperidin-1-ium-4-yl)-4-(2-pyridylsulfanyl)pyrrolidine-2-carboxamide CAS Name: (2S,4R)-1-(1-methyl-4-piperidin-1-iumyl)-N-propan-2-yl-4-(2-pyridinylthio)-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-1-(1-methylpiperidin-1-ium-4-yl)-N-propan-2-yl-4-pyridin-2-ylsulfanylpyrrolidine-2-carboxamide Traditional Name: (2S,4R)-N-isopropyl-1-(1-methylpiperidin-1-ium-4-yl)-4-(2-pyridylthio)pyrrolidine-2-carboxamide Formula: C19H31N4OS+ MolecularWeight: 363.54064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC(CN1C2CC[NH+](CC2)C)SC3=CC=CC=N3

Isomeric SMILES

CC(C)NC(=O)[C@@H]1C[C@H](CN1C2CC[NH+](CC2)C)SC3=CC=CC=N3

InChI

InChI=1S/C19H30N4OS/c1-14(2)21-19(24)17-12-16(25-18-6-4-5-9-20-18)13-23(17)15-7-10-22(3)11-8-15/h4-6,9,14-17H,7-8,10-13H2,1-3H3,(H,21,24)/p+1/t16-,17+/m1/s1