3-(2-methylpropoxy)propyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]azanium

Systemtic Name: 3-(2-methylpropoxy)propyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]azanium Openeye Name: 3-isobutoxypropyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]ammonium CAS Name: 3-(2-methylpropoxy)propyl-[(1S)-1-[4-(methylthio)phenyl]ethyl]ammonium IUPAC Name: 3-(2-methylpropoxy)propyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]azanium Traditional Name: 3-isobutoxypropyl-[(1S)-1-[4-(methylthio)phenyl]ethyl]ammonium Formula: C16H28NOS+ MolecularWeight: 282.46462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCCC[NH2+]C(C)C1=CC=C(C=C1)SC

Isomeric SMILES

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

InChI

InChI=1S/C16H27NOS/c1-13(2)12-18-11-5-10-17-14(3)15-6-8-16(19-4)9-7-15/h6-9,13-14,17H,5,10-12H2,1-4H3/p+1/t14-/m0/s1