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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-oxidanidyl-piperazin-1-ium-1-yl]pyrimidine Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-oxido-piperazin-1-ium-1-yl]pyrimidine CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-oxido-1-piperazin-1-iumyl]pyrimidine IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-oxidopiperazin-1-ium-1-yl]pyrimidine Traditional Name: 2-(1-oxido-4-piperonyl-piperazin-1-ium-1-yl)pyrimidine Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1CC2=CC3=C(C=C2)OCO3)(C4=NC=CC=N4)[O-]

Isomeric SMILES

C1C[N+](CCN1CC2=CC3=C(C=C2)OCO3)(C4=NC=CC=N4)[O-]

InChI

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