2-(2-methylpropanoylamino)ethyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]azanium

Systemtic Name: 2-(2-methylpropanoylamino)ethyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]azanium Openeye Name: 2-(2-methylpropanoylamino)ethyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]ammonium CAS Name: 2-[(2-methyl-1-oxopropyl)amino]ethyl-[(1S)-1-[4-(methylthio)phenyl]ethyl]ammonium IUPAC Name: 2-(2-methylpropanoylamino)ethyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]azanium Traditional Name: 2-(isobutyrylamino)ethyl-[(1S)-1-[4-(methylthio)phenyl]ethyl]ammonium Formula: C15H25N2OS+ MolecularWeight: 281.4368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCC[NH2+]C(C)C1=CC=C(C=C1)SC

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)SC)[NH2+]CCNC(=O)C(C)C

InChI

InChI=1S/C15H24N2OS/c1-11(2)15(18)17-10-9-16-12(3)13-5-7-14(19-4)8-6-13/h5-8,11-12,16H,9-10H2,1-4H3,(H,17,18)/p+1/t12-/m0/s1