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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-1-ium-1-yl]acetamide Formula: C23H31BrN3O3+ MolecularWeight: 477.41454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC(=C(C=C3C)OC)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC(=C(C=C3C)OC)OC)Br

InChI

InChI=1S/C23H30BrN3O3/c1-16-5-6-20(19(24)11-16)25-23(28)15-27-9-7-26(8-10-27)14-18-13-22(30-4)21(29-3)12-17(18)2/h5-6,11-13H,7-10,14-15H2,1-4H3,(H,25,28)/p+1