3-[methyl(phenyl)amino]propyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: 3-[methyl(phenyl)amino]propyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: 3-(N-methylanilino)propyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: 3-(N-methylanilino)propyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: 3-(N-methylanilino)propyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: 3-(N-methylanilino)propyl-[4-(methylthio)benzyl]ammonium Formula: C18H25N2S+ MolecularWeight: 301.4695

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC[NH2+]CC1=CC=C(C=C1)SC)C2=CC=CC=C2

Isomeric SMILES

CN(CCC[NH2+]CC1=CC=C(C=C1)SC)C2=CC=CC=C2

InChI

InChI=1S/C18H24N2S/c1-20(17-7-4-3-5-8-17)14-6-13-19-15-16-9-11-18(21-2)12-10-16/h3-5,7-12,19H,6,13-15H2,1-2H3/p+1