[2-[[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[3-[(3,4-dimethylphenyl)thio]propanoylamino]methyl]benzyl]-dimethyl-ammonium Formula: C21H29N2OS+ MolecularWeight: 357.53276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NCC2=CC=CC=C2C[NH+](C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NCC2=CC=CC=C2C[NH+](C)C)C

InChI

InChI=1S/C21H28N2OS/c1-16-9-10-20(13-17(16)2)25-12-11-21(24)22-14-18-7-5-6-8-19(18)15-23(3)4/h5-10,13H,11-12,14-15H2,1-4H3,(H,22,24)/p+1