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

Systemtic Name: 2-methyl-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]furan-3-carboxamide Openeye Name: 2-methyl-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]furan-3-carboxamide CAS Name: 2-methyl-N-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-3-furancarboxamide IUPAC Name: 2-methyl-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]furan-3-carboxamide Traditional Name: 2-methyl-N-[[2-(4-pyridin-1-ium-2-ylpiperazino)pyridin-1-ium-3-yl]methyl]-3-furamide Formula: C21H25N5O2+2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)NCC2=C([NH+]=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C=CO1)C(=O)NCC2=C([NH+]=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H23N5O2/c1-16-18(7-14-28-16)21(27)24-15-17-5-4-9-23-20(17)26-12-10-25(11-13-26)19-6-2-3-8-22-19/h2-9,14H,10-13,15H2,1H3,(H,24,27)/p+2