methyl-[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl]-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium

Systemtic Name: methyl-[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl]-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: [2-(isopropylamino)-2-oxo-ethyl]-methyl-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]ammonium CAS Name: methyl-[2-oxo-2-[3-(phenylthio)propylamino]ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: methyl-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: [2-(isopropylamino)-2-keto-ethyl]-[2-keto-2-[3-(phenylthio)propylamino]ethyl]-methyl-ammonium Formula: C17H28N3O2S+ MolecularWeight: 338.48812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+](C)CC(=O)NCCCSC1=CC=CC=C1

Isomeric SMILES

CC(C)NC(=O)C[NH+](C)CC(=O)NCCCSC1=CC=CC=C1

InChI

InChI=1S/C17H27N3O2S/c1-14(2)19-17(22)13-20(3)12-16(21)18-10-7-11-23-15-8-5-4-6-9-15/h4-6,8-9,14H,7,10-13H2,1-3H3,(H,18,21)(H,19,22)/p+1