N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

Systemtic Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide Openeye Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide CAS Name: N-[[2-(4-methyl-1-piperazin-4-iumyl)-3-pyridin-1-iumyl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide IUPAC Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide Traditional Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide Formula: C18H23N5OS+2 MolecularWeight: 357.47312

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC4=C(N3)C=CS4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC4=C(N3)C=CS4

InChI

InChI=1S/C18H21N5OS/c1-22-6-8-23(9-7-22)17-13(3-2-5-19-17)12-20-18(24)15-11-16-14(21-15)4-10-25-16/h2-5,10-11,21H,6-9,12H2,1H3,(H,20,24)/p+2