[(2S)-2-ethylhexyl]-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [(2S)-2-ethylhexyl]-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [(2S)-2-ethylhexyl]-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [(2S)-2-ethylhexyl]-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [(2S)-2-ethylhexyl]-[4-(methylthio)benzyl]ammonium Formula: C16H28NS+ MolecularWeight: 266.46522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]CC1=CC=C(C=C1)SC

Isomeric SMILES

CCCC[C@H](CC)C[NH2+]CC1=CC=C(C=C1)SC

InChI

InChI=1S/C16H27NS/c1-4-6-7-14(5-2)12-17-13-15-8-10-16(18-3)11-9-15/h8-11,14,17H,4-7,12-13H2,1-3H3/p+1/t14-/m0/s1