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

Systemtic Name: 1-(2-methoxyphenyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazin-4-ium Openeye Name: 1-(2-methoxyphenyl)-4-[1-(p-tolylsulfonyl)-4-piperidyl]piperazin-4-ium CAS Name: 1-(2-methoxyphenyl)-4-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]piperazin-4-ium IUPAC Name: 1-(2-methoxyphenyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazin-4-ium Traditional Name: 1-(2-methoxyphenyl)-4-(1-tosyl-4-piperidyl)piperazin-4-ium Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C23H31N3O3S/c1-19-7-9-21(10-8-19)30(27,28)26-13-11-20(12-14-26)24-15-17-25(18-16-24)22-5-3-4-6-23(22)29-2/h3-10,20H,11-18H2,1-2H3/p+1