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

Systemtic Name: (2S,4R)-N-cyclopropyl-1-(1-methylpiperidin-1-ium-4-yl)-4-pyridin-2-ylsulfanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-cyclopropyl-1-(1-methylpiperidin-1-ium-4-yl)-4-(2-pyridylsulfanyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-cyclopropyl-1-(1-methyl-4-piperidin-1-iumyl)-4-(2-pyridinylthio)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-cyclopropyl-1-(1-methylpiperidin-1-ium-4-yl)-4-pyridin-2-ylsulfanylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-cyclopropyl-1-(1-methylpiperidin-1-ium-4-yl)-4-(2-pyridylthio)pyrrolidin-1-ium-2-carboxamide Formula: C19H30N4OS+2 MolecularWeight: 362.5327

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CC(CC2C(=O)NC3CC3)SC4=CC=CC=N4

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2C[C@@H](C[C@H]2C(=O)NC3CC3)SC4=CC=CC=N4

InChI

InChI=1S/C19H28N4OS/c1-22-10-7-15(8-11-22)23-13-16(25-18-4-2-3-9-20-18)12-17(23)19(24)21-14-5-6-14/h2-4,9,14-17H,5-8,10-13H2,1H3,(H,21,24)/p+2/t16-,17+/m1/s1