[(1S)-1-(4-methylsulfanylphenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)azanium

Systemtic Name: [(1S)-1-(4-methylsulfanylphenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S)-1-(4-methylsulfanylphenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium CAS Name: [(1S)-1-[4-(methylthio)phenyl]ethyl]-[3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(1S)-1-(4-methylsulfanylphenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S)-1-[4-(methylthio)phenyl]ethyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium Formula: C17H30N2S+2 MolecularWeight: 294.4985

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC)[NH2+]CCC[NH+]2CCCCC2

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)SC)[NH2+]CCC[NH+]2CCCCC2

InChI

InChI=1S/C17H28N2S/c1-15(16-7-9-17(20-2)10-8-16)18-11-6-14-19-12-4-3-5-13-19/h7-10,15,18H,3-6,11-14H2,1-2H3/p+2/t15-/m0/s1