ethyl-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl]-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium

Systemtic Name: ethyl-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl]-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: ethyl-[2-(isopropylamino)-2-oxo-ethyl]-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]ammonium CAS Name: ethyl-[2-oxo-2-[2-(phenylthio)ethylamino]ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: ethyl-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: ethyl-[2-(isopropylamino)-2-keto-ethyl]-[2-keto-2-[2-(phenylthio)ethylamino]ethyl]ammonium Formula: C17H28N3O2S+ MolecularWeight: 338.48812

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(=O)NCCSC1=CC=CC=C1)CC(=O)NC(C)C

Isomeric SMILES

CC[NH+](CC(=O)NCCSC1=CC=CC=C1)CC(=O)NC(C)C

InChI

InChI=1S/C17H27N3O2S/c1-4-20(13-17(22)19-14(2)3)12-16(21)18-10-11-23-15-8-6-5-7-9-15/h5-9,14H,4,10-13H2,1-3H3,(H,18,21)(H,19,22)/p+1