2,3,5,6-tetramethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide

Systemtic Name: 2,3,5,6-tetramethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Openeye Name: 2,3,5,6-tetramethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide CAS Name: 2,3,5,6-tetramethyl-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]benzenesulfonamide IUPAC Name: 2,3,5,6-tetramethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Traditional Name: 2,3,5,6-tetramethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)C)C)C

InChI

InChI=1S/C21H29N3O2S/c1-15-14-16(2)18(4)21(17(15)3)27(25,26)22-19-6-8-20(9-7-19)24-12-10-23(5)11-13-24/h6-9,14,22H,10-13H2,1-5H3/p+1