1-(4-methylphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazin-4-ium Openeye Name: 1-(p-tolylsulfonyl)-4-(3-pyridylmethyl)piperazin-4-ium CAS Name: 1-(4-methylphenyl)sulfonyl-4-(3-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazin-4-ium Traditional Name: 1-(3-pyridylmethyl)-4-tosyl-piperazin-1-ium Formula: C17H22N3O2S+ MolecularWeight: 332.44048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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