(4-methylpiperazin-4-ium-1-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone Formula: C20H21N4O2+ MolecularWeight: 349.40634

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2C3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2C3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C20H20N4O2/c1-23-11-13-24(14-12-23)20(25)17-10-6-5-9-16(17)19-21-18(22-26-19)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3/p+1