[5-(hydroxymethyl)furan-2-yl]methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azanium

Systemtic Name: [5-(hydroxymethyl)furan-2-yl]methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azanium Openeye Name: [5-(hydroxymethyl)-2-furyl]methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-pyridyl]methyl]ammonium CAS Name: [5-(hydroxymethyl)-2-furanyl]methyl-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridinyl]methyl]ammonium IUPAC Name: [5-(hydroxymethyl)furan-2-yl]methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azanium Traditional Name: (5-methylol-2-furyl)methyl-[[2-(4-pyridin-1-ium-2-ylpiperazino)-3-pyridyl]methyl]ammonium Formula: C21H27N5O2+2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(C=CC=N3)C[NH2+]CC4=CC=C(O4)CO

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(C=CC=N3)C[NH2+]CC4=CC=C(O4)CO

InChI

InChI=1S/C21H25N5O2/c27-16-19-7-6-18(28-19)15-22-14-17-4-3-9-24-21(17)26-12-10-25(11-13-26)20-5-1-2-8-23-20/h1-9,22,27H,10-16H2/p+2