4-methyl-N-(2-piperazin-4-ium-1-ylethyl)benzenesulfonamide

Systemtic Name: 4-methyl-N-(2-piperazin-4-ium-1-ylethyl)benzenesulfonamide Openeye Name: 4-methyl-N-(2-piperazin-4-ium-1-ylethyl)benzenesulfonamide CAS Name: 4-methyl-N-[2-(1-piperazin-4-iumyl)ethyl]benzenesulfonamide IUPAC Name: 4-methyl-N-(2-piperazin-4-ium-1-ylethyl)benzenesulfonamide Traditional Name: 4-methyl-N-(2-piperazin-4-ium-1-ylethyl)benzenesulfonamide Formula: C13H22N3O2S+ MolecularWeight: 284.39768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCN2CC[NH2+]CC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCN2CC[NH2+]CC2

InChI

InChI=1S/C13H21N3O2S/c1-12-2-4-13(5-3-12)19(17,18)15-8-11-16-9-6-14-7-10-16/h2-5,14-15H,6-11H2,1H3/p+1