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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-phenethylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-phenethylacetamide Traditional Name: N-phenethyl-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O3/c26-22(23-9-8-18-4-2-1-3-5-18)16-25-12-10-24(11-13-25)15-19-6-7-20-21(14-19)28-17-27-20/h1-7,14H,8-13,15-17H2,(H,23,26)/p+1