4-[3-(4-ethoxy-3-methoxy-phenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one

Systemtic Name: 4-[3-(4-ethoxy-3-methoxy-phenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one Openeye Name: 4-[3-(4-ethoxy-3-methoxy-phenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one CAS Name: 4-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methyl-1-piperazin-4-iumyl)-1-butanone IUPAC Name: 4-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one Traditional Name: 4-[3-(4-ethoxy-3-methoxy-phenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one Formula: C20H29N4O4+ MolecularWeight: 389.46866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NOC(=N2)CCCC(=O)N3CC[NH+](CC3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NOC(=N2)CCCC(=O)N3CC[NH+](CC3)C)OC

InChI

InChI=1S/C20H28N4O4/c1-4-27-16-9-8-15(14-17(16)26-3)20-21-18(28-22-20)6-5-7-19(25)24-12-10-23(2)11-13-24/h8-9,14H,4-7,10-13H2,1-3H3/p+1