[4-(methylcarbamoyl)phenyl]methyl-(3-methylsulfanylpropyl)azanium

Systemtic Name: [4-(methylcarbamoyl)phenyl]methyl-(3-methylsulfanylpropyl)azanium Openeye Name: [4-(methylcarbamoyl)phenyl]methyl-(3-methylsulfanylpropyl)ammonium CAS Name: [4-(methylcarbamoyl)phenyl]methyl-[3-(methylthio)propyl]ammonium IUPAC Name: [4-(methylcarbamoyl)phenyl]methyl-(3-methylsulfanylpropyl)azanium Traditional Name: [4-(methylcarbamoyl)benzyl]-[3-(methylthio)propyl]ammonium Formula: C13H21N2OS+ MolecularWeight: 253.38364

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)C[NH2+]CCCSC

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)C[NH2+]CCCSC

InChI

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