2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[(2S)-2-[(4-chlorophenyl)thio]-1-oxopropyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[(2S)-2-[(4-chlorophenyl)thio]propanoyl]amino]ethyl-diisopropyl-ammonium Formula: C17H28ClN2OS+ MolecularWeight: 343.93502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C(C)SC1=CC=C(C=C1)Cl)C(C)C

Isomeric SMILES

C[C@@H](C(=O)NCC[NH+](C(C)C)C(C)C)SC1=CC=C(C=C1)Cl

InChI

InChI=1S/C17H27ClN2OS/c1-12(2)20(13(3)4)11-10-19-17(21)14(5)22-16-8-6-15(18)7-9-16/h6-9,12-14H,10-11H2,1-5H3,(H,19,21)/p+1/t14-/m0/s1