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

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(4-methylsulfanylphenyl)sulfonylpiperidin-4-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(4-methylsulfanylphenyl)sulfonyl-4-piperidyl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[1-[4-(methylthio)phenyl]sulfonyl-4-piperidinyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(4-methylsulfanylphenyl)sulfonylpiperidin-4-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[1-[4-(methylthio)phenyl]sulfonyl-4-piperidyl]methanone Formula: C19H30N3O3S2+ MolecularWeight: 412.5898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3S2/c1-3-20-12-14-21(15-13-20)19(23)16-8-10-22(11-9-16)27(24,25)18-6-4-17(26-2)5-7-18/h4-7,16H,3,8-15H2,1-2H3/p+1