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

Systemtic Name: 5-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]propyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 3-phenyl-5-[3-(4-piperonylpiperazin-1-ium-1-yl)propyl]-1,2,4-oxadiazole Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC2=NC(=NO2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=NC(=NO2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H26N4O3/c1-2-5-19(6-3-1)23-24-22(30-25-23)7-4-10-26-11-13-27(14-12-26)16-18-8-9-20-21(15-18)29-17-28-20/h1-3,5-6,8-9,15H,4,7,10-14,16-17H2/p+1