N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide CAS Name: N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(1-piperidin-1-iumyl)ethyl]-4-triazolecarboxamide IUPAC Name: N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Traditional Name: N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Formula: C19H24N7O2+ MolecularWeight: 382.43956

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C=C(N=N2)C(=O)NCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCN2C=C(N=N2)C(=O)NCC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C19H23N7O2/c27-19(16-14-26(24-22-16)12-11-25-9-5-2-6-10-25)20-13-17-21-18(23-28-17)15-7-3-1-4-8-15/h1,3-4,7-8,14H,2,5-6,9-13H2,(H,20,27)/p+1