(3S,5S)-3,5-dimethyl-1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium

Systemtic Name: (3S,5S)-3,5-dimethyl-1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium Openeye Name: (3S,5S)-3,5-dimethyl-1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium CAS Name: (3S,5S)-3,5-dimethyl-1-[1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]piperidin-1-ium IUPAC Name: (3S,5S)-3,5-dimethyl-1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium Traditional Name: (3S,5S)-3,5-dimethyl-1-[1-[4-(methylthio)benzyl]piperidin-1-ium-4-yl]piperidin-1-ium Formula: C20H34N2S+2 MolecularWeight: 334.56236

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C2CC[NH+](CC2)CC3=CC=C(C=C3)SC)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)C2CC[NH+](CC2)CC3=CC=C(C=C3)SC)C

InChI

InChI=1S/C20H32N2S/c1-16-12-17(2)14-22(13-16)19-8-10-21(11-9-19)15-18-4-6-20(23-3)7-5-18/h4-7,16-17,19H,8-15H2,1-3H3/p+2/t16-,17-/m0/s1