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

Systemtic Name: 2,3,4,5,6-pentamethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]benzenesulfonamide Openeye Name: 2,3,4,5,6-pentamethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]benzenesulfonamide CAS Name: 2,3,4,5,6-pentamethyl-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridin-1-iumyl]benzenesulfonamide IUPAC Name: 2,3,4,5,6-pentamethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]benzenesulfonamide Traditional Name: 2,3,4,5,6-pentamethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]benzenesulfonamide Formula: C21H32N4O2S+2 MolecularWeight: 404.56938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O2S/c1-14-15(2)17(4)21(18(5)16(14)3)28(26,27)23-19-7-8-20(22-13-19)25-11-9-24(6)10-12-25/h7-8,13,23H,9-12H2,1-6H3/p+2