2-[4-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Formula: C17H20BrN4O2+ MolecularWeight: 392.2703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2Br)OCCO3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2Br)OCCO3)C4=NC=CC=N4

InChI

InChI=1S/C17H19BrN4O2/c18-14-11-16-15(23-8-9-24-16)10-13(14)12-21-4-6-22(7-5-21)17-19-2-1-3-20-17/h1-3,10-11H,4-9,12H2/p+1