1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-amine

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-amine Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-amine CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumamine IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-amine Traditional Name: [1-[4-(methylthio)benzyl]piperidin-1-ium-4-yl]amine Formula: C13H21N2S+ MolecularWeight: 237.38424

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)N

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)N

InChI

InChI=1S/C13H20N2S/c1-16-13-4-2-11(3-5-13)10-15-8-6-12(14)7-9-15/h2-5,12H,6-10,14H2,1H3/p+1