[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-(3-phenylsulfanylpropyl)azanium

Systemtic Name: [(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-(3-phenylsulfanylpropyl)azanium Openeye Name: [(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl]-(3-phenylsulfanylpropyl)ammonium CAS Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]-[3-(phenylthio)propyl]ammonium IUPAC Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]-(3-phenylsulfanylpropyl)azanium Traditional Name: [(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl]-[3-(phenylthio)propyl]ammonium Formula: C20H27N2OS+ MolecularWeight: 343.50618

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[NH2+]CCCSC2=CC=CC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)[NH2+]CCCSC2=CC=CC=C2

InChI

InChI=1S/C20H26N2OS/c1-3-17-10-12-18(13-11-17)22-20(23)16(2)21-14-7-15-24-19-8-5-4-6-9-19/h4-6,8-13,16,21H,3,7,14-15H2,1-2H3,(H,22,23)/p+1/t16-/m0/s1