[(2R)-2-(azocan-1-ium-1-yl)-2-(4-methylsulfanylphenyl)ethyl]azanium

Systemtic Name: [(2R)-2-(azocan-1-ium-1-yl)-2-(4-methylsulfanylphenyl)ethyl]azanium Openeye Name: [(2R)-2-(azocan-1-ium-1-yl)-2-(4-methylsulfanylphenyl)ethyl]ammonium CAS Name: [(2R)-2-(1-azocan-1-iumyl)-2-[4-(methylthio)phenyl]ethyl]ammonium IUPAC Name: [(2R)-2-(azocan-1-ium-1-yl)-2-(4-methylsulfanylphenyl)ethyl]azanium Traditional Name: [(2R)-2-(azocan-1-ium-1-yl)-2-[4-(methylthio)phenyl]ethyl]ammonium Formula: C16H28N2S+2 MolecularWeight: 280.47192

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C[NH3+])[NH+]2CCCCCCC2

Isomeric SMILES

CSC1=CC=C(C=C1)[C@H](C[NH3+])[NH+]2CCCCCCC2

InChI

InChI=1S/C16H26N2S/c1-19-15-9-7-14(8-10-15)16(13-17)18-11-5-3-2-4-6-12-18/h7-10,16H,2-6,11-13,17H2,1H3/p+2/t16-/m0/s1