N-(1,3-benzodioxol-5-yl)-2-piperazin-1-ium-1-yl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-piperazin-1-ium-1-yl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-piperazin-1-ium-1-yl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(1-piperazin-1-iumyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-piperazin-1-ium-1-ylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-piperazin-1-ium-1-yl-acetamide Formula: C13H18N3O3+ MolecularWeight: 264.30032

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN1)CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1C[NH+](CCN1)CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H17N3O3/c17-13(8-16-5-3-14-4-6-16)15-10-1-2-11-12(7-10)19-9-18-11/h1-2,7,14H,3-6,8-9H2,(H,15,17)/p+1