ethyl 5-(piperidin-1-ium-1-ylmethyl)-1-(4-pyrrol-1-yl-1,2,5-oxadiazol-3-yl)-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 5-(piperidin-1-ium-1-ylmethyl)-1-(4-pyrrol-1-yl-1,2,5-oxadiazol-3-yl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-(piperidin-1-ium-1-ylmethyl)-1-(4-pyrrol-1-yl-1,2,5-oxadiazol-3-yl)triazole-4-carboxylate CAS Name: 5-(1-piperidin-1-iumylmethyl)-1-[4-(1-pyrrolyl)-1,2,5-oxadiazol-3-yl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(piperidin-1-ium-1-ylmethyl)-1-(4-pyrrol-1-yl-1,2,5-oxadiazol-3-yl)triazole-4-carboxylate Traditional Name: 5-(piperidin-1-ium-1-ylmethyl)-1-(4-pyrrol-1-ylfurazan-3-yl)triazole-4-carboxylic acid ethyl ester Formula: C17H22N7O3+ MolecularWeight: 372.40168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=NON=C2N3C=CC=C3)C[NH+]4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=NON=C2N3C=CC=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C17H21N7O3/c1-2-26-17(25)14-13(12-22-8-4-3-5-9-22)24(21-18-14)16-15(19-27-20-16)23-10-6-7-11-23/h6-7,10-11H,2-5,8-9,12H2,1H3/p+1