5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole

Systemtic Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 3-phenyl-5-[(4-piperonylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Formula: C21H23N4O3+ MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H22N4O3/c1-2-4-17(5-3-1)21-22-20(28-23-21)14-25-10-8-24(9-11-25)13-16-6-7-18-19(12-16)27-15-26-18/h1-7,12H,8-11,13-15H2/p+1