methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]azanium

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]azanium Openeye Name: methyl-[2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl]-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]azanium Traditional Name: [2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C21H29N2OS+ MolecularWeight: 357.53276

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)SC

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C21H28N2OS/c1-17(9-10-18-7-5-4-6-8-18)22-21(24)16-23(2)15-19-11-13-20(25-3)14-12-19/h4-8,11-14,17H,9-10,15-16H2,1-3H3,(H,22,24)/p+1/t17-/m1/s1