(2S,4R)-N-methyl-1-(1-phenethylpiperidin-1-ium-4-yl)-4-pyridin-2-ylsulfanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-N-methyl-1-(1-phenethylpiperidin-1-ium-4-yl)-4-pyridin-2-ylsulfanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-methyl-1-(1-phenethylpiperidin-1-ium-4-yl)-4-(2-pyridylsulfanyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-methyl-1-(1-phenethyl-4-piperidin-1-iumyl)-4-(2-pyridinylthio)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-methyl-1-(1-phenethylpiperidin-1-ium-4-yl)-4-pyridin-2-ylsulfanylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-methyl-1-(1-phenethylpiperidin-1-ium-4-yl)-4-(2-pyridylthio)pyrrolidin-1-ium-2-carboxamide Formula: C24H34N4OS+2 MolecularWeight: 426.61796

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC(C[NH+]1C2CC[NH+](CC2)CCC3=CC=CC=C3)SC4=CC=CC=N4

Isomeric SMILES

CNC(=O)[C@@H]1C[C@H](C[NH+]1C2CC[NH+](CC2)CCC3=CC=CC=C3)SC4=CC=CC=N4

InChI

InChI=1S/C24H32N4OS/c1-25-24(29)22-17-21(30-23-9-5-6-13-26-23)18-28(22)20-11-15-27(16-12-20)14-10-19-7-3-2-4-8-19/h2-9,13,20-22H,10-12,14-18H2,1H3,(H,25,29)/p+2/t21-,22+/m1/s1