1-(4-methylphenyl)sulfonyl-4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium Openeye Name: 1-(p-tolylsulfonyl)-4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium CAS Name: 1-(4-methylphenyl)sulfonyl-4-(4-pyridin-1-iumylmethyl)piperazin-4-ium IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium Traditional Name: 1-(pyridin-1-ium-4-ylmethyl)-4-tosyl-piperazin-1-ium Formula: C17H23N3O2S+2 MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=[NH+]C=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=[NH+]C=C3

InChI

InChI=1S/C17H21N3O2S/c1-15-2-4-17(5-3-15)23(21,22)20-12-10-19(11-13-20)14-16-6-8-18-9-7-16/h2-9H,10-14H2,1H3/p+2