2-[4-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Formula: C16H18BrN4O2+ MolecularWeight: 378.24372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2Br)OCO3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2Br)OCO3)C4=NC=CC=N4

InChI

InChI=1S/C16H17BrN4O2/c17-13-9-15-14(22-11-23-15)8-12(13)10-20-4-6-21(7-5-20)16-18-2-1-3-19-16/h1-3,8-9H,4-7,10-11H2/p+1