N-ethyl-N-(2-methylphenyl)piperazin-4-ium-1-sulfonamide

Systemtic Name: N-ethyl-N-(2-methylphenyl)piperazin-4-ium-1-sulfonamide Openeye Name: N-ethyl-N-(o-tolyl)piperazin-4-ium-1-sulfonamide CAS Name: N-ethyl-N-(2-methylphenyl)-1-piperazin-4-iumsulfonamide IUPAC Name: N-ethyl-N-(2-methylphenyl)piperazin-4-ium-1-sulfonamide Traditional Name: N-ethyl-N-(o-tolyl)piperazin-4-ium-1-sulfonamide Formula: C13H22N3O2S+ MolecularWeight: 284.39768

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1C)S(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

CCN(C1=CC=CC=C1C)S(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C13H21N3O2S/c1-3-16(13-7-5-4-6-12(13)2)19(17,18)15-10-8-14-9-11-15/h4-7,14H,3,8-11H2,1-2H3/p+1