(4-cyclohexylpiperazin-4-ium-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone

Systemtic Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone Openeye Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[1-(p-tolylsulfonyl)-4-piperidyl]methanone CAS Name: (4-cyclohexyl-1-piperazin-4-iumyl)-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]methanone IUPAC Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone Traditional Name: (4-cyclohexylpiperazin-4-ium-1-yl)-(1-tosyl-4-piperidyl)methanone Formula: C23H36N3O3S+ MolecularWeight: 434.61524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)C4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C23H35N3O3S/c1-19-7-9-22(10-8-19)30(28,29)26-13-11-20(12-14-26)23(27)25-17-15-24(16-18-25)21-5-3-2-4-6-21/h7-10,20-21H,2-6,11-18H2,1H3/p+1