3-[[4-(2-azanyl-2-oxidanylidene-ethyl)phenoxy]methyl]-N-(2-piperidin-1-ium-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide

Systemtic Name: 3-[[4-(2-azanyl-2-oxidanylidene-ethyl)phenoxy]methyl]-N-(2-piperidin-1-ium-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide Openeye Name: 3-[[4-(2-amino-2-oxo-ethyl)phenoxy]methyl]-N-(2-piperidin-1-ium-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide CAS Name: 3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-[2-(1-piperidin-1-iumyl)ethyl]-1,2,4-oxadiazole-5-carboxamide IUPAC Name: 3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-(2-piperidin-1-ium-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide Traditional Name: 3-[[4-(2-amino-2-keto-ethyl)phenoxy]methyl]-N-(2-piperidin-1-ium-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide Formula: C19H26N5O4+ MolecularWeight: 388.44084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=O)C2=NC(=NO2)COC3=CC=C(C=C3)CC(=O)N

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=O)C2=NC(=NO2)COC3=CC=C(C=C3)CC(=O)N

InChI

InChI=1S/C19H25N5O4/c20-16(25)12-14-4-6-15(7-5-14)27-13-17-22-19(28-23-17)18(26)21-8-11-24-9-2-1-3-10-24/h4-7H,1-3,8-13H2,(H2,20,25)(H,21,26)/p+1