3-(4-methylphenyl)sulfanylpropyl-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: 3-(4-methylphenyl)sulfanylpropyl-[(2S)-2-oxidanylpropyl]azanium Openeye Name: [(2S)-2-hydroxypropyl]-[3-(p-tolylsulfanyl)propyl]ammonium CAS Name: [(2S)-2-hydroxypropyl]-[3-[(4-methylphenyl)thio]propyl]ammonium IUPAC Name: [(2S)-2-hydroxypropyl]-[3-(4-methylphenyl)sulfanylpropyl]azanium Traditional Name: [(2S)-2-hydroxypropyl]-[3-(p-tolylthio)propyl]ammonium Formula: C13H22NOS+ MolecularWeight: 240.38488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC[NH2+]CC(C)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCC[NH2+]C[C@H](C)O

InChI

InChI=1S/C13H21NOS/c1-11-4-6-13(7-5-11)16-9-3-8-14-10-12(2)15/h4-7,12,14-15H,3,8-10H2,1-2H3/p+1/t12-/m0/s1