3-methyl-4-piperazin-4-ium-1-yl-N-propyl-benzenesulfonamide

Systemtic Name: 3-methyl-4-piperazin-4-ium-1-yl-N-propyl-benzenesulfonamide Openeye Name: 3-methyl-4-piperazin-4-ium-1-yl-N-propyl-benzenesulfonamide CAS Name: 3-methyl-4-(1-piperazin-4-iumyl)-N-propylbenzenesulfonamide IUPAC Name: 3-methyl-4-piperazin-4-ium-1-yl-N-propylbenzenesulfonamide Traditional Name: 3-methyl-4-piperazin-4-ium-1-yl-N-propyl-benzenesulfonamide Formula: C14H24N3O2S+ MolecularWeight: 298.42426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O2S/c1-3-6-16-20(18,19)13-4-5-14(12(2)11-13)17-9-7-15-8-10-17/h4-5,11,15-16H,3,6-10H2,1-2H3/p+1