4-methyl-N-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]benzenesulfonamide Openeye Name: 4-methyl-N-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]thiazol-2-yl]benzenesulfonamide CAS Name: 4-methyl-N-[4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-thiazolyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]benzenesulfonamide Traditional Name: 4-methyl-N-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]thiazol-2-yl]benzenesulfonamide Formula: C20H25N5O2S2+2 MolecularWeight: 431.5748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H23N5O2S2/c1-16-5-7-18(8-6-16)29(26,27)23-20-22-17(15-28-20)14-24-10-12-25(13-11-24)19-4-2-3-9-21-19/h2-9,15H,10-14H2,1H3,(H,22,23)/p+2