(3-methylphenyl)methyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]azanium

Systemtic Name: (3-methylphenyl)methyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]azanium Openeye Name: [(1S)-1-(4-methylsulfanylphenyl)ethyl]-(m-tolylmethyl)ammonium CAS Name: (3-methylphenyl)methyl-[(1S)-1-[4-(methylthio)phenyl]ethyl]ammonium IUPAC Name: (3-methylphenyl)methyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]azanium Traditional Name: (3-methylbenzyl)-[(1S)-1-[4-(methylthio)phenyl]ethyl]ammonium Formula: C17H22NS+ MolecularWeight: 272.42828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH2+]C(C)C2=CC=C(C=C2)SC

Isomeric SMILES

CC1=CC(=CC=C1)C[NH2+][C@@H](C)C2=CC=C(C=C2)SC

InChI

InChI=1S/C17H21NS/c1-13-5-4-6-15(11-13)12-18-14(2)16-7-9-17(19-3)10-8-16/h4-11,14,18H,12H2,1-3H3/p+1/t14-/m0/s1