2-[2-(3,4-dimethylphenoxy)ethyl]-5-piperazin-4-ium-1-yl-1,3,4-oxadiazole

Systemtic Name: 2-[2-(3,4-dimethylphenoxy)ethyl]-5-piperazin-4-ium-1-yl-1,3,4-oxadiazole Openeye Name: 2-[2-(3,4-dimethylphenoxy)ethyl]-5-piperazin-4-ium-1-yl-1,3,4-oxadiazole CAS Name: 2-[2-(3,4-dimethylphenoxy)ethyl]-5-(1-piperazin-4-iumyl)-1,3,4-oxadiazole IUPAC Name: 2-[2-(3,4-dimethylphenoxy)ethyl]-5-piperazin-4-ium-1-yl-1,3,4-oxadiazole Traditional Name: 2-[2-(3,4-dimethylphenoxy)ethyl]-5-piperazin-4-ium-1-yl-1,3,4-oxadiazole Formula: C16H23N4O2+ MolecularWeight: 303.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCC2=NN=C(O2)N3CC[NH2+]CC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCC2=NN=C(O2)N3CC[NH2+]CC3)C

InChI

InChI=1S/C16H22N4O2/c1-12-3-4-14(11-13(12)2)21-10-5-15-18-19-16(22-15)20-8-6-17-7-9-20/h3-4,11,17H,5-10H2,1-2H3/p+1