2-(2-bromanyl-4,5-dimethoxy-phenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(2-bromanyl-4,5-dimethoxy-phenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-(2-bromo-4,5-dimethoxy-phenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-bromo-4,5-dimethoxyphenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)-1-(4-pyridin-1-ium-4-ylpiperazino)ethanone Formula: C19H23BrN3O3+ MolecularWeight: 421.30822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)Br)OC

InChI

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