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

Systemtic Name: [(1S)-2-azaniumyl-1-(4-methylsulfanylphenyl)ethyl]-cyclohexyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(4-methylsulfanylphenyl)ethyl]-cyclohexyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-[4-(methylthio)phenyl]ethyl]-cyclohexyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(4-methylsulfanylphenyl)ethyl]-cyclohexyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-[4-(methylthio)phenyl]ethyl]-cyclohexyl-ethyl-ammonium Formula: C17H30N2S+2 MolecularWeight: 294.4985

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](C1CCCCC1)C(C[NH3+])C2=CC=C(C=C2)SC

Isomeric SMILES

CC[NH+](C1CCCCC1)[C@H](C[NH3+])C2=CC=C(C=C2)SC

InChI

InChI=1S/C17H28N2S/c1-3-19(15-7-5-4-6-8-15)17(13-18)14-9-11-16(20-2)12-10-14/h9-12,15,17H,3-8,13,18H2,1-2H3/p+2/t17-/m1/s1