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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-(3,4-dimethoxyphenyl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-(3,4-dimethoxyphenyl)-5-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,2,4-oxadiazole IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-(3,4-dimethoxyphenyl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C21H24N4O3/c1-26-18-9-8-16(14-19(18)27-2)21-22-20(28-23-21)15-24-10-12-25(13-11-24)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3/p+1