2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine

Systemtic Name: 2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine Openeye Name: 2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanylmethyl]imidazo[1,2-a]pyridine CAS Name: 2-[[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]methyl]imidazo[1,2-a]pyridine IUPAC Name: 2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine Traditional Name: 2-[[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]methyl]imidazo[1,2-a]pyridine Formula: C18H22N5O2S2+ MolecularWeight: 404.52958

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CN4C=CC=CC4=N3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CN4C=CC=CC4=N3

InChI

InChI=1S/C18H21N5O2S2/c1-21-8-10-23(11-9-21)27(24,25)16-5-6-18(19-12-16)26-14-15-13-22-7-3-2-4-17(22)20-15/h2-7,12-13H,8-11,14H2,1H3/p+1