N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-1-ium-2-amine CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methyl]-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridin-1-iumamine IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine Traditional Name: [5-(1,3-benzothiazol-2-yl)-2-furyl]methyl-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]amine Formula: C22H25N5O3S2+2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=CC=C(O3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=CC=C(O3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H23N5O3S2/c1-26-10-12-27(13-11-26)32(28,29)17-7-9-21(24-15-17)23-14-16-6-8-19(30-16)22-25-18-4-2-3-5-20(18)31-22/h2-9,15H,10-14H2,1H3,(H,23,24)/p+2