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

Systemtic Name: 2-[4-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(5-bromo-2,4-dimethoxy-phenyl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(5-bromo-2,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-(5-bromo-2,4-dimethoxy-benzyl)piperazin-4-ium-1-yl]pyrimidine Formula: C17H22BrN4O2+ MolecularWeight: 394.28618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=NC=CC=N3)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=NC=CC=N3)Br)OC

InChI

InChI=1S/C17H21BrN4O2/c1-23-15-11-16(24-2)14(18)10-13(15)12-21-6-8-22(9-7-21)17-19-4-3-5-20-17/h3-5,10-11H,6-9,12H2,1-2H3/p+1