N-(furan-2-ylmethyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-furylmethyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-furanylmethyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(furan-2-ylmethyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-furfuryl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C16H22N4O2+2 MolecularWeight: 302.37148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CO2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CO2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H20N4O2/c21-16(18-12-14-4-3-11-22-14)13-19-7-9-20(10-8-19)15-5-1-2-6-17-15/h1-6,11H,7-10,12-13H2,(H,18,21)/p+2