[(2S)-3-(2,5-dimethylphenyl)sulfanyl-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: [(2S)-3-(2,5-dimethylphenyl)sulfanyl-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2S)-3-(2,5-dimethylphenyl)sulfanyl-2-hydroxy-propyl]-methyl-ammonium CAS Name: [(2S)-3-[(2,5-dimethylphenyl)thio]-2-hydroxypropyl]-methylammonium IUPAC Name: [(2S)-3-(2,5-dimethylphenyl)sulfanyl-2-hydroxypropyl]-methylazanium Traditional Name: [(2S)-3-[(2,5-dimethylphenyl)thio]-2-hydroxy-propyl]-methyl-ammonium Formula: C12H20NOS+ MolecularWeight: 226.3583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NOS/c1-9-4-5-10(2)12(6-9)15-8-11(14)7-13-3/h4-6,11,13-14H,7-8H2,1-3H3/p+1/t11-/m0/s1