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

Systemtic Name: 3-methyl-N-(2-piperazin-4-ium-1-ylethyl)benzenesulfonamide Openeye Name: 3-methyl-N-(2-piperazin-4-ium-1-ylethyl)benzenesulfonamide CAS Name: 3-methyl-N-[2-(1-piperazin-4-iumyl)ethyl]benzenesulfonamide IUPAC Name: 3-methyl-N-(2-piperazin-4-ium-1-ylethyl)benzenesulfonamide Traditional Name: 3-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(=CC=C1)S(=O)(=O)NCCN2CC[NH2+]CC2

Isomeric SMILES

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

InChI

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