methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium Openeye Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium Traditional Name: [2-keto-2-[[(1S)-1-phenylethyl]amino]ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C19H25N2OS+ MolecularWeight: 329.4796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)SC

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C19H24N2OS/c1-15(17-7-5-4-6-8-17)20-19(22)14-21(2)13-16-9-11-18(23-3)12-10-16/h4-12,15H,13-14H2,1-3H3,(H,20,22)/p+1/t15-/m0/s1