4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-piperonylpiperazin-4-ium-1-carboxamide Formula: C13H18N3O3+ MolecularWeight: 264.30032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)N

InChI

InChI=1S/C13H17N3O3/c14-13(17)16-5-3-15(4-6-16)8-10-1-2-11-12(7-10)19-9-18-11/h1-2,7H,3-6,8-9H2,(H2,14,17)/p+1