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

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-(1-piperidin-1-iumyl)piperidin-1-ium IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium Traditional Name: 1-[4-(methylthio)benzyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium Formula: C18H30N2S+2 MolecularWeight: 306.5092

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCCCC3

InChI

InChI=1S/C18H28N2S/c1-21-18-7-5-16(6-8-18)15-19-13-9-17(10-14-19)20-11-3-2-4-12-20/h5-8,17H,2-4,9-15H2,1H3/p+2