3-methyl-N-(2-methylpropyl)-5-piperazin-4-ium-1-yl-benzenesulfonamide

Systemtic Name: 3-methyl-N-(2-methylpropyl)-5-piperazin-4-ium-1-yl-benzenesulfonamide Openeye Name: N-isobutyl-3-methyl-5-piperazin-4-ium-1-yl-benzenesulfonamide CAS Name: 3-methyl-N-(2-methylpropyl)-5-(1-piperazin-4-iumyl)benzenesulfonamide IUPAC Name: 3-methyl-N-(2-methylpropyl)-5-piperazin-4-ium-1-ylbenzenesulfonamide Traditional Name: N-isobutyl-3-methyl-5-piperazin-4-ium-1-yl-benzenesulfonamide Formula: C15H26N3O2S+ MolecularWeight: 312.45084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)S(=O)(=O)NCC(C)C)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC(=CC(=C1)S(=O)(=O)NCC(C)C)N2CC[NH2+]CC2

InChI

InChI=1S/C15H25N3O2S/c1-12(2)11-17-21(19,20)15-9-13(3)8-14(10-15)18-6-4-16-5-7-18/h8-10,12,16-17H,4-7,11H2,1-3H3/p+1