N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-4-[(1-methylpiperidin-1-ium-4-yl)methyl]piperazine-1-carboxamide

Systemtic Name: N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-4-[(1-methylpiperidin-1-ium-4-yl)methyl]piperazine-1-carboxamide Openeye Name: N-[5-(2-furyl)-1H-1,2,4-triazol-3-yl]-4-[(1-methylpiperidin-1-ium-4-yl)methyl]piperazine-1-carboxamide CAS Name: N-[5-(2-furanyl)-1H-1,2,4-triazol-3-yl]-4-[(1-methyl-4-piperidin-1-iumyl)methyl]-1-piperazinecarboxamide IUPAC Name: N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-4-[(1-methylpiperidin-1-ium-4-yl)methyl]piperazine-1-carboxamide Traditional Name: N-[5-(2-furyl)-1H-1,2,4-triazol-3-yl]-4-[(1-methylpiperidin-1-ium-4-yl)methyl]piperazine-1-carboxamide Formula: C18H28N7O2+ MolecularWeight: 374.46062

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)CN2CCN(CC2)C(=O)NC3=NNC(=N3)C4=CC=CO4

Isomeric SMILES

C[NH+]1CCC(CC1)CN2CCN(CC2)C(=O)NC3=NNC(=N3)C4=CC=CO4

InChI

InChI=1S/C18H27N7O2/c1-23-6-4-14(5-7-23)13-24-8-10-25(11-9-24)18(26)20-17-19-16(21-22-17)15-3-2-12-27-15/h2-3,12,14H,4-11,13H2,1H3,(H2,19,20,21,22,26)/p+1