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

Systemtic Name: 1-methyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium CAS Name: 1-methyl-4-[1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[1-[4-(methylthio)benzyl]piperidin-1-ium-4-yl]piperazine-1,4-diium Formula: C18H32N3S+3 MolecularWeight: 322.53178

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

C[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C18H29N3S/c1-19-11-13-21(14-12-19)17-7-9-20(10-8-17)15-16-3-5-18(22-2)6-4-16/h3-6,17H,7-15H2,1-2H3/p+3