2-[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(5-bromo-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-(5-bromo-2-methoxy-benzyl)piperazin-4-ium-1-yl]pyrimidine Formula: C16H20BrN4O+ MolecularWeight: 364.2602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H19BrN4O/c1-22-15-4-3-14(17)11-13(15)12-20-7-9-21(10-8-20)16-18-5-2-6-19-16/h2-6,11H,7-10,12H2,1H3/p+1