ethyl 3-bromanyl-2-chloranyl-5-piperazin-1-yl-benzoate hydrochloride

Systemtic Name: ethyl 3-bromanyl-2-chloranyl-5-piperazin-1-yl-benzoate hydrochloride Openeye Name: ethyl 3-bromo-2-chloro-5-piperazin-1-yl-benzoate hydrochloride CAS Name: 3-bromo-2-chloro-5-(1-piperazinyl)benzoic acid ethyl ester hydrochloride IUPAC Name: ethyl 3-bromo-2-chloro-5-piperazin-1-ylbenzoate hydrochloride Traditional Name: 3-bromo-2-chloro-5-piperazino-benzoic acid ethyl ester hydrochloride Formula: C13H17BrCl2N2O2 MolecularWeight: 384.09628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1Cl)Br)N2CCNCC2.Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1Cl)Br)N2CCNCC2.Cl

InChI

InChI=1S/C13H16BrClN2O2.ClH/c1-2-19-13(18)10-7-9(8-11(14)12(10)15)17-5-3-16-4-6-17;/h7-8,16H,2-6H2,1H3;1H