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

Systemtic Name: N,N-diethyl-1-[(3S)-1-(furan-2-ylmethyl)piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N,N-diethyl-1-[(3S)-1-(2-furylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N,N-diethyl-1-[(3S)-1-(2-furanylmethyl)-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N,N-diethyl-1-[(3S)-1-(furan-2-ylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N,N-diethyl-1-[(3S)-1-(2-furfuryl)piperidin-1-ium-3-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)C2CCC[NH+](C2)CC3=CC=CO3

Isomeric SMILES

CCN(CC)C(=O)C1=CN(N=N1)[C@H]2CCC[NH+](C2)CC3=CC=CO3

InChI

InChI=1S/C17H25N5O2/c1-3-21(4-2)17(23)16-13-22(19-18-16)14-7-5-9-20(11-14)12-15-8-6-10-24-15/h6,8,10,13-14H,3-5,7,9,11-12H2,1-2H3/p+1/t14-/m0/s1