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

Systemtic Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]oxane-4-carboxamide Openeye Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]tetrahydropyran-4-carboxamide CAS Name: N-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-4-oxanecarboxamide IUPAC Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]oxane-4-carboxamide Traditional Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazino)pyridin-1-ium-3-yl]methyl]tetrahydropyran-4-carboxamide Formula: C21H29N5O2+2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C(=O)NCC2=C([NH+]=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1COCCC1C(=O)NCC2=C([NH+]=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H27N5O2/c27-21(17-6-14-28-15-7-17)24-16-18-4-3-9-23-20(18)26-12-10-25(11-13-26)19-5-1-2-8-22-19/h1-5,8-9,17H,6-7,10-16H2,(H,24,27)/p+2