N,N-diethyl-1-[1-(furan-3-ylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N,N-diethyl-1-[1-(furan-3-ylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N,N-diethyl-1-[1-(3-furylmethyl)piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: N,N-diethyl-1-[1-(3-furanylmethyl)-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N,N-diethyl-1-[1-(furan-3-ylmethyl)piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: N,N-diethyl-1-[1-(3-furfuryl)piperidin-1-ium-4-yl]triazole-4-carboxamide Formula: C17H26N5O2+ MolecularWeight: 332.42064

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CN(N=N1)C2CC[NH+](CC2)CC3=COC=C3

Isomeric SMILES

CCN(CC)C(=O)C1=CN(N=N1)C2CC[NH+](CC2)CC3=COC=C3

InChI

InChI=1S/C17H25N5O2/c1-3-21(4-2)17(23)16-12-22(19-18-16)15-5-8-20(9-6-15)11-14-7-10-24-13-14/h7,10,12-13,15H,3-6,8-9,11H2,1-2H3/p+1