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

Systemtic Name: 4-[4-[(4-bromanyl-2,5-dimethoxy-phenyl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-[(4-bromo-2,5-dimethoxy-phenyl)methyl]piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-[(4-bromo-2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-(4-bromo-2,5-dimethoxy-benzyl)piperazin-4-ium-1-yl]phenol Formula: C19H24BrN2O3+ MolecularWeight: 408.30946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN2O3/c1-24-18-12-17(20)19(25-2)11-14(18)13-21-7-9-22(10-8-21)15-3-5-16(23)6-4-15/h3-6,11-12,23H,7-10,13H2,1-2H3/p+1