[(2S)-2-[ethyl-(phenylmethyl)amino]-2-(4-methylsulfanylphenyl)ethyl]azanium

Systemtic Name: [(2S)-2-[ethyl-(phenylmethyl)amino]-2-(4-methylsulfanylphenyl)ethyl]azanium Openeye Name: [(2S)-2-[benzyl(ethyl)amino]-2-(4-methylsulfanylphenyl)ethyl]ammonium CAS Name: [(2S)-2-[ethyl-(phenylmethyl)amino]-2-[4-(methylthio)phenyl]ethyl]ammonium IUPAC Name: [(2S)-2-[benzyl(ethyl)amino]-2-(4-methylsulfanylphenyl)ethyl]azanium Traditional Name: [(2S)-2-[benzyl(ethyl)amino]-2-[4-(methylthio)phenyl]ethyl]ammonium Formula: C18H25N2S+ MolecularWeight: 301.4695

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(C[NH3+])C2=CC=C(C=C2)SC

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2S/c1-3-20(14-15-7-5-4-6-8-15)18(13-19)16-9-11-17(21-2)12-10-16/h4-12,18H,3,13-14,19H2,1-2H3/p+1/t18-/m1/s1