5-bromanyl-4-methoxy-2-piperazin-4-ium-1-yl-pyrimidine

Systemtic Name: 5-bromanyl-4-methoxy-2-piperazin-4-ium-1-yl-pyrimidine Openeye Name: 5-bromo-4-methoxy-2-piperazin-4-ium-1-yl-pyrimidine CAS Name: 5-bromo-4-methoxy-2-(1-piperazin-4-iumyl)pyrimidine IUPAC Name: 5-bromo-4-methoxy-2-piperazin-4-ium-1-ylpyrimidine Traditional Name: 5-bromo-4-methoxy-2-piperazin-4-ium-1-yl-pyrimidine Formula: C9H14BrN4O+ MolecularWeight: 274.13766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1Br)N2CC[NH2+]CC2

Isomeric SMILES

COC1=NC(=NC=C1Br)N2CC[NH2+]CC2

InChI

InChI=1S/C9H13BrN4O/c1-15-8-7(10)6-12-9(13-8)14-4-2-11-3-5-14/h6,11H,2-5H2,1H3/p+1