N,N-diethyl-4-(piperazin-4-ium-1-ylmethyl)benzenesulfonamide

Systemtic Name: N,N-diethyl-4-(piperazin-4-ium-1-ylmethyl)benzenesulfonamide Openeye Name: N,N-diethyl-4-(piperazin-4-ium-1-ylmethyl)benzenesulfonamide CAS Name: N,N-diethyl-4-(1-piperazin-4-iumylmethyl)benzenesulfonamide IUPAC Name: N,N-diethyl-4-(piperazin-4-ium-1-ylmethyl)benzenesulfonamide Traditional Name: N,N-diethyl-4-(piperazin-4-ium-1-ylmethyl)benzenesulfonamide Formula: C15H26N3O2S+ MolecularWeight: 312.45084

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CN2CC[NH2+]CC2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CN2CC[NH2+]CC2

InChI

InChI=1S/C15H25N3O2S/c1-3-18(4-2)21(19,20)15-7-5-14(6-8-15)13-17-11-9-16-10-12-17/h5-8,16H,3-4,9-13H2,1-2H3/p+1