dimethyl-[[3-(3-methylsulfanylpropanoylamino)phenyl]methyl]azanium

Systemtic Name: dimethyl-[[3-(3-methylsulfanylpropanoylamino)phenyl]methyl]azanium Openeye Name: dimethyl-[[3-(3-methylsulfanylpropanoylamino)phenyl]methyl]ammonium CAS Name: dimethyl-[[3-[[3-(methylthio)-1-oxopropyl]amino]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[3-(3-methylsulfanylpropanoylamino)phenyl]methyl]azanium Traditional Name: dimethyl-[3-[3-(methylthio)propanoylamino]benzyl]ammonium Formula: C13H21N2OS+ MolecularWeight: 253.38364

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC(=CC=C1)NC(=O)CCSC

Isomeric SMILES

C[NH+](C)CC1=CC(=CC=C1)NC(=O)CCSC

InChI

InChI=1S/C13H20N2OS/c1-15(2)10-11-5-4-6-12(9-11)14-13(16)7-8-17-3/h4-6,9H,7-8,10H2,1-3H3,(H,14,16)/p+1