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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-oxidanylidene-2-piperazin-4-ium-1-yl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-oxo-2-piperazin-4-ium-1-yl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-oxo-2-(1-piperazin-4-iumyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-oxo-2-piperazin-4-ium-1-ylacetamide Traditional Name: 2-keto-2-piperazin-4-ium-1-yl-N-piperonyl-acetamide Formula: C14H18N3O4+ MolecularWeight: 292.31042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H17N3O4/c18-13(14(19)17-5-3-15-4-6-17)16-8-10-1-2-11-12(7-10)21-9-20-11/h1-2,7,15H,3-6,8-9H2,(H,16,18)/p+1