2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxidanidyl-pyrimidin-1-ium

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxidanidyl-pyrimidin-1-ium Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxido-pyrimidin-1-ium CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxidopyrimidin-1-ium IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxidopyrimidin-1-ium Traditional Name: 1-oxido-2-(4-piperonylpiperazino)pyrimidin-1-ium Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=[N+]4[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=[N+]4[O-]

InChI

InChI=1S/C16H18N4O3/c21-20-5-1-4-17-16(20)19-8-6-18(7-9-19)11-13-2-3-14-15(10-13)23-12-22-14/h1-5,10H,6-9,11-12H2