2-[[(2S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-pyridin-2-ylsulfanyl-pyrrolidin-1-ium-2-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(2S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-pyridin-2-ylsulfanyl-pyrrolidin-1-ium-2-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2S,4R)-1-indan-2-yl-4-(2-pyridylsulfanyl)pyrrolidin-1-ium-2-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[(2S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(2-pyridinylthio)-2-pyrrolidin-1-iumyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-pyridin-2-ylsulfanylpyrrolidin-1-ium-2-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(2S,4R)-1-indan-2-yl-4-(2-pyridylthio)pyrrolidin-1-ium-2-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C23H32N4OS+2 MolecularWeight: 412.59138

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1CC(C[NH+]1C2CC3=CC=CC=C3C2)SC4=CC=CC=N4

Isomeric SMILES

C[NH+](C)CCNC(=O)[C@@H]1C[C@H](C[NH+]1C2CC3=CC=CC=C3C2)SC4=CC=CC=N4

InChI

InChI=1S/C23H30N4OS/c1-26(2)12-11-25-23(28)21-15-20(29-22-9-5-6-10-24-22)16-27(21)19-13-17-7-3-4-8-18(17)14-19/h3-10,19-21H,11-16H2,1-2H3,(H,25,28)/p+2/t20-,21+/m1/s1