dimethyl-[(1S)-2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[[2-(m-tolylmethylsulfanyl)acetyl]amino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]-1-phenylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[[2-[(3-methylbenzyl)thio]acetyl]amino]-1-phenyl-ethyl]ammonium Formula: C20H27N2OS+ MolecularWeight: 343.50618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NCC(C2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NC[C@H](C2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C20H26N2OS/c1-16-8-7-9-17(12-16)14-24-15-20(23)21-13-19(22(2)3)18-10-5-4-6-11-18/h4-12,19H,13-15H2,1-3H3,(H,21,23)/p+1/t19-/m1/s1