(4-bromanyl-3,5-dimethoxy-phenyl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-bromanyl-3,5-dimethoxy-phenyl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Openeye Name: (4-bromo-3,5-dimethoxy-phenyl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone CAS Name: (4-bromo-3,5-dimethoxyphenyl)-[(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]methanone IUPAC Name: (4-bromo-3,5-dimethoxyphenyl)-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]methanone Traditional Name: (4-bromo-3,5-dimethoxy-phenyl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Formula: C20H24BrN2O3+ MolecularWeight: 420.32016

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=O)C3=CC(=C(C(=C3)OC)Br)OC

Isomeric SMILES

C[NH+]1CCN([C@@H](C1)C2=CC=CC=C2)C(=O)C3=CC(=C(C(=C3)OC)Br)OC

InChI

InChI=1S/C20H23BrN2O3/c1-22-9-10-23(16(13-22)14-7-5-4-6-8-14)20(24)15-11-17(25-2)19(21)18(12-15)26-3/h4-8,11-12,16H,9-10,13H2,1-3H3/p+1/t16-/m0/s1