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

Systemtic Name: (2S,4R)-N-cyclopropyl-1-(1-phenethylpiperidin-1-ium-4-yl)-4-pyridin-2-ylsulfanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-cyclopropyl-1-(1-phenethylpiperidin-1-ium-4-yl)-4-(2-pyridylsulfanyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-cyclopropyl-1-(1-phenethyl-4-piperidin-1-iumyl)-4-(2-pyridinylthio)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-cyclopropyl-1-(1-phenethylpiperidin-1-ium-4-yl)-4-pyridin-2-ylsulfanylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-cyclopropyl-1-(1-phenethylpiperidin-1-ium-4-yl)-4-(2-pyridylthio)pyrrolidin-1-ium-2-carboxamide Formula: C26H36N4OS+2 MolecularWeight: 452.65524

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2CC(C[NH+]2C3CC[NH+](CC3)CCC4=CC=CC=C4)SC5=CC=CC=N5

Isomeric SMILES

C1CC1NC(=O)[C@@H]2C[C@H](C[NH+]2C3CC[NH+](CC3)CCC4=CC=CC=C4)SC5=CC=CC=N5

InChI

InChI=1S/C26H34N4OS/c31-26(28-21-9-10-21)24-18-23(32-25-8-4-5-14-27-25)19-30(24)22-12-16-29(17-13-22)15-11-20-6-2-1-3-7-20/h1-8,14,21-24H,9-13,15-19H2,(H,28,31)/p+2/t23-,24+/m1/s1