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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)-4-phenyl-piperazin-1-ium Formula: C19H24BrN2O2+ MolecularWeight: 392.31006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN2O2/c1-23-18-12-15(17(20)13-19(18)24-2)14-21-8-10-22(11-9-21)16-6-4-3-5-7-16/h3-7,12-13H,8-11,14H2,1-2H3/p+1