N-butyl-3-methyl-5-piperazin-4-ium-1-yl-benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC(=CC(=C1)N2CC[NH2+]CC2)C

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC(=CC(=C1)N2CC[NH2+]CC2)C

InChI

InChI=1S/C15H25N3O2S/c1-3-4-5-17-21(19,20)15-11-13(2)10-14(12-15)18-8-6-16-7-9-18/h10-12,16-17H,3-9H2,1-2H3/p+1