1-(phenylsulfonyl)-4-(2-pyridin-2-ylethyl)piperazin-4-ium

Systemtic Name: 1-(phenylsulfonyl)-4-(2-pyridin-2-ylethyl)piperazin-4-ium Openeye Name: 1-(benzenesulfonyl)-4-[2-(2-pyridyl)ethyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[2-(2-pyridinyl)ethyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-(2-pyridin-2-ylethyl)piperazin-4-ium Traditional Name: 1-besyl-4-[2-(2-pyridyl)ethyl]piperazin-4-ium Formula: C17H22N3O2S+ MolecularWeight: 332.44048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3O2S/c21-23(22,17-7-2-1-3-8-17)20-14-12-19(13-15-20)11-9-16-6-4-5-10-18-16/h1-8,10H,9,11-15H2/p+1