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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O3/c1-25-18-13-17(21)19(26-2)12-16(18)14-22-8-10-23(11-9-22)20(24)15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3/p+1