1-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-2-one

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-2-one Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-2-one CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-piperazin-4-iumone IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-2-one Traditional Name: 1-piperonylpiperazin-4-ium-2-one Formula: C12H15N2O3+ MolecularWeight: 235.2591

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C[NH2+]1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(C(=O)C[NH2+]1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C12H14N2O3/c15-12-6-13-3-4-14(12)7-9-1-2-10-11(5-9)17-8-16-10/h1-2,5,13H,3-4,6-8H2/p+1