(5-bromanylpyridin-3-yl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-bromanylpyridin-3-yl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-bromo-3-pyridyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (5-bromo-3-pyridinyl)-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-bromopyridin-3-yl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-bromo-3-pyridyl)-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]methanone Formula: C19H23BrN3O3+ MolecularWeight: 421.30822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN3O3/c1-25-17-3-4-18(26-2)15(10-17)13-22-5-7-23(8-6-22)19(24)14-9-16(20)12-21-11-14/h3-4,9-12H,5-8,13H2,1-2H3/p+1