2-piperazin-4-ium-1-yl-5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-oxadiazole

Systemtic Name: 2-piperazin-4-ium-1-yl-5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-oxadiazole Openeye Name: 2-piperazin-4-ium-1-yl-5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-oxadiazole CAS Name: 2-(1-piperazin-4-iumyl)-5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-oxadiazole IUPAC Name: 2-piperazin-4-ium-1-yl-5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-oxadiazole Traditional Name: 2-piperazin-4-ium-1-yl-5-[(2,3,6-trimethylphenoxy)methyl]-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)C)OCC2=NN=C(O2)N3CC[NH2+]CC3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCC2=NN=C(O2)N3CC[NH2+]CC3)C

InChI

InChI=1S/C16H22N4O2/c1-11-4-5-12(2)15(13(11)3)21-10-14-18-19-16(22-14)20-8-6-17-7-9-20/h4-5,17H,6-10H2,1-3H3/p+1