2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C22H26N5O3+ MolecularWeight: 408.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)C2=CC=C(C=C2)OCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC(C)C1=NOC(=N1)C2=CC=C(C=C2)OCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H25N5O3/c1-16(2)21-24-22(30-25-21)17-6-8-18(9-7-17)29-15-20(28)27-13-11-26(12-14-27)19-5-3-4-10-23-19/h3-10,16H,11-15H2,1-2H3/p+1