3-bromanyl-4-[(4-ethylpiperazin-1-yl)methyl]benzoyl chloride dihydrochloride

Systemtic Name: 3-bromanyl-4-[(4-ethylpiperazin-1-yl)methyl]benzoyl chloride dihydrochloride Openeye Name: 3-bromo-4-[(4-ethylpiperazin-1-yl)methyl]benzoyl chloride dihydrochloride CAS Name: 3-bromo-4-[(4-ethyl-1-piperazinyl)methyl]benzoyl chloride dihydrochloride IUPAC Name: 3-bromo-4-[(4-ethylpiperazin-1-yl)methyl]benzoyl chloride dihydrochloride Traditional Name: 3-bromo-4-[(4-ethylpiperazino)methyl]benzoyl chloride dihydrochloride Formula: C14H20BrCl3N2O MolecularWeight: 418.5844

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C=C(C=C2)C(=O)Cl)Br.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C=C(C=C2)C(=O)Cl)Br.Cl.Cl

InChI

InChI=1S/C14H18BrClN2O.2ClH/c1-2-17-5-7-18(8-6-17)10-12-4-3-11(14(16)19)9-13(12)15;;/h3-4,9H,2,5-8,10H2,1H3;2*1H