1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone

Systemtic Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone Openeye Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone CAS Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone IUPAC Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone Traditional Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)COC2=CC=C(C=C2)C3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)COC2=CC=C(C=C2)C3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3/c1-25-12-5-13-26(15-14-25)20(27)16-28-19-10-8-18(9-11-19)22-23-21(24-29-22)17-6-3-2-4-7-17/h2-4,6-11H,5,12-16H2,1H3/p+1