2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide Traditional Name: N-(4-phenoxyphenyl)-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C26H28N3O4+ MolecularWeight: 446.51822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H27N3O4/c30-26(27-21-7-9-23(10-8-21)33-22-4-2-1-3-5-22)18-29-14-12-28(13-15-29)17-20-6-11-24-25(16-20)32-19-31-24/h1-11,16H,12-15,17-19H2,(H,27,30)/p+1