1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium

Systemtic Name: 1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium Openeye Name: 1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium CAS Name: 1-[1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]azepan-1-ium IUPAC Name: 1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium Traditional Name: 1-[1-[4-(methylthio)benzyl]piperidin-1-ium-4-yl]azepan-1-ium Formula: C19H32N2S+2 MolecularWeight: 320.53578

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCCCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCCCCC3

InChI

InChI=1S/C19H30N2S/c1-22-19-8-6-17(7-9-19)16-20-14-10-18(11-15-20)21-12-4-2-3-5-13-21/h6-9,18H,2-5,10-16H2,1H3/p+2