methyl-[3-[(4-methylsulfanylphenyl)methylazaniumyl]propyl]azanium

Systemtic Name: methyl-[3-[(4-methylsulfanylphenyl)methylazaniumyl]propyl]azanium Openeye Name: methyl-[3-[(4-methylsulfanylphenyl)methylammonio]propyl]ammonium CAS Name: methyl-[3-[[4-(methylthio)phenyl]methylammonio]propyl]ammonium IUPAC Name: methyl-[3-[(4-methylsulfanylphenyl)methylazaniumyl]propyl]azanium Traditional Name: methyl-[3-[[4-(methylthio)benzyl]ammonio]propyl]ammonium Formula: C12H22N2S+2 MolecularWeight: 226.38148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N2S/c1-13-8-3-9-14-10-11-4-6-12(15-2)7-5-11/h4-7,13-14H,3,8-10H2,1-2H3/p+2