2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole CAS Name: 2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O4/c1-27-18-13-16(14-19(28-2)21(18)29-3)22-24-23-20(30-22)15-25-9-11-26(12-10-25)17-7-5-4-6-8-17/h4-8,13-14H,9-12,15H2,1-3H3/p+1