(4-methylpiperazin-4-ium-1-yl)-[1-(4-methylsulfanylphenyl)sulfonylpiperidin-4-yl]methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[1-(4-methylsulfanylphenyl)sulfonylpiperidin-4-yl]methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[1-(4-methylsulfanylphenyl)sulfonyl-4-piperidyl]methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[1-[4-(methylthio)phenyl]sulfonyl-4-piperidinyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-[1-(4-methylsulfanylphenyl)sulfonylpiperidin-4-yl]methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[1-[4-(methylthio)phenyl]sulfonyl-4-piperidyl]methanone Formula: C18H28N3O3S2+ MolecularWeight: 398.56322

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C18H27N3O3S2/c1-19-11-13-20(14-12-19)18(22)15-7-9-21(10-8-15)26(23,24)17-5-3-16(25-2)4-6-17/h3-6,15H,7-14H2,1-2H3/p+1