1-[2-(4-methylphenyl)sulfonylethyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[2-(4-methylphenyl)sulfonylethyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[2-(p-tolylsulfonyl)ethyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[2-(4-methylphenyl)sulfonylethyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[2-(4-methylphenyl)sulfonylethyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-pyridin-1-ium-2-yl-4-(2-tosylethyl)piperazin-4-ium Formula: C18H25N3O2S+2 MolecularWeight: 347.475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H23N3O2S/c1-16-5-7-17(8-6-16)24(22,23)15-14-20-10-12-21(13-11-20)18-4-2-3-9-19-18/h2-9H,10-15H2,1H3/p+2