[(2S)-2-[2-(3,4-dimethylphenyl)sulfanylethanoylamino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[2-(3,4-dimethylphenyl)sulfanylethanoylamino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[2-[(3,4-dimethylphenyl)thio]-1-oxoethyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[[2-[(3,4-dimethylphenyl)thio]acetyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C20H27N2OS+ MolecularWeight: 343.50618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)NC(C[NH+](C)C)C2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)N[C@H](C[NH+](C)C)C2=CC=CC=C2)C

InChI

InChI=1S/C20H26N2OS/c1-15-10-11-18(12-16(15)2)24-14-20(23)21-19(13-22(3)4)17-8-6-5-7-9-17/h5-12,19H,13-14H2,1-4H3,(H,21,23)/p+1/t19-/m1/s1