N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazino)pyridin-1-ium-3-yl]methyl]thiophene-2-carboxamide Formula: C20H23N5OS+2 MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(C=CC=[NH+]3)CNC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(C=CC=[NH+]3)CNC(=O)C4=CC=CS4

InChI

InChI=1S/C20H21N5OS/c26-20(17-6-4-14-27-17)23-15-16-5-3-9-22-19(16)25-12-10-24(11-13-25)18-7-1-2-8-21-18/h1-9,14H,10-13,15H2,(H,23,26)/p+2