2-[4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazin-4-ium-1-yl]ethanol

Systemtic Name: 2-[4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[1-(p-tolylsulfonyl)-4-piperidyl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-(1-tosyl-4-piperidyl)piperazin-4-ium-1-yl]ethanol Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)[NH+]3CCN(CC3)CCO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)[NH+]3CCN(CC3)CCO

InChI

InChI=1S/C18H29N3O3S/c1-16-2-4-18(5-3-16)25(23,24)21-8-6-17(7-9-21)20-12-10-19(11-13-20)14-15-22/h2-5,17,22H,6-15H2,1H3/p+1