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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: N-phenyl-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N3O3/c24-20(21-17-4-2-1-3-5-17)14-23-10-8-22(9-11-23)13-16-6-7-18-19(12-16)26-15-25-18/h1-7,12H,8-11,13-15H2,(H,21,24)/p+1