[(1S)-1-[2-(2,5-dimethylphenyl)sulfanylphenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[2-(2,5-dimethylphenyl)sulfanylphenyl]ethyl]azanium Openeye Name: [(1S)-1-[2-(2,5-dimethylphenyl)sulfanylphenyl]ethyl]ammonium CAS Name: [(1S)-1-[2-[(2,5-dimethylphenyl)thio]phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[2-(2,5-dimethylphenyl)sulfanylphenyl]ethyl]azanium Traditional Name: [(1S)-1-[2-[(2,5-dimethylphenyl)thio]phenyl]ethyl]ammonium Formula: C16H20NS+ MolecularWeight: 258.4017

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=CC=C2C(C)[NH3+]

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=CC=C2[C@H](C)[NH3+]

InChI

InChI=1S/C16H19NS/c1-11-8-9-12(2)16(10-11)18-15-7-5-4-6-14(15)13(3)17/h4-10,13H,17H2,1-3H3/p+1/t13-/m0/s1