N-(3-piperidin-1-ium-1-ylpropyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamide

Systemtic Name: N-(3-piperidin-1-ium-1-ylpropyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamide Openeye Name: 2-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(3-piperidin-1-ium-1-ylpropyl)acetamide CAS Name: N-[3-(1-piperidin-1-iumyl)propyl]-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide IUPAC Name: N-(3-piperidin-1-ium-1-ylpropyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide Traditional Name: 2-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(3-piperidin-1-ium-1-ylpropyl)acetamide Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)C2=CC=C(C=C2)OCC(=O)NCCC[NH+]3CCCCC3

Isomeric SMILES

CC(C)C1=NOC(=N1)C2=CC=C(C=C2)OCC(=O)NCCC[NH+]3CCCCC3

InChI

InChI=1S/C21H30N4O3/c1-16(2)20-23-21(28-24-20)17-7-9-18(10-8-17)27-15-19(26)22-11-6-14-25-12-4-3-5-13-25/h7-10,16H,3-6,11-15H2,1-2H3,(H,22,26)/p+1