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

Systemtic Name: 2-[4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[(2-bromo-4,5-dimethoxy-phenyl)methyl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-(2-bromo-4,5-dimethoxy-benzyl)piperazin-4-ium-1-yl]ethanol Formula: C15H24BrN2O3+ MolecularWeight: 360.26666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH+]2CCN(CC2)CCO)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH+]2CCN(CC2)CCO)Br)OC

InChI

InChI=1S/C15H23BrN2O3/c1-20-14-9-12(13(16)10-15(14)21-2)11-18-5-3-17(4-6-18)7-8-19/h9-10,19H,3-8,11H2,1-2H3/p+1