2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-ium-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-ium-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-[4-[2-(p-tolyl)ethyl]piperidin-1-ium-1-yl]ethanone CAS Name: 2-[4-[2-(4-methylphenyl)ethyl]-1-piperidin-1-iumyl]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-ium-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 1-(4-mesylpiperazino)-2-[4-[2-(p-tolyl)ethyl]piperidin-1-ium-1-yl]ethanone Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC2CC[NH+](CC2)CC(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CCC2CC[NH+](CC2)CC(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C21H33N3O3S/c1-18-3-5-19(6-4-18)7-8-20-9-11-22(12-10-20)17-21(25)23-13-15-24(16-14-23)28(2,26)27/h3-6,20H,7-17H2,1-2H3/p+1