3-(4-methylphenyl)sulfonyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(4-methylphenyl)sulfonyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(p-tolylsulfonyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(4-methylphenyl)sulfonyl-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-methylphenyl)sulfonyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one Traditional Name: 1-(4-pyridin-1-ium-4-ylpiperazino)-3-tosyl-propan-1-one Formula: C19H24N3O3S+ MolecularWeight: 374.47716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C19H23N3O3S/c1-16-2-4-18(5-3-16)26(24,25)15-8-19(23)22-13-11-21(12-14-22)17-6-9-20-10-7-17/h2-7,9-10H,8,11-15H2,1H3/p+1