N,N-dimethyl-4-(phenylmethyl)piperazin-4-ium-1-sulfonamide chloride

Systemtic Name: N,N-dimethyl-4-(phenylmethyl)piperazin-4-ium-1-sulfonamide chloride Openeye Name: 4-benzyl-N,N-dimethyl-piperazin-4-ium-1-sulfonamide chloride CAS Name: N,N-dimethyl-4-(phenylmethyl)-1-piperazin-4-iumsulfonamide chloride IUPAC Name: 4-benzyl-N,N-dimethylpiperazin-4-ium-1-sulfonamide chloride Traditional Name: 4-benzyl-N,N-dimethyl-piperazin-4-ium-1-sulfonamide chloride Formula: C13H22ClN3O2S MolecularWeight: 319.85068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CC[NH+](CC1)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CN(C)S(=O)(=O)N1CC[NH+](CC1)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C13H21N3O2S.ClH/c1-14(2)19(17,18)16-10-8-15(9-11-16)12-13-6-4-3-5-7-13;/h3-7H,8-12H2,1-2H3;1H