(3-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone chloride

Systemtic Name: (3-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone chloride Openeye Name: (3-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone chloride CAS Name: (3-chlorophenyl)-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]methanone chloride IUPAC Name: (3-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone chloride Traditional Name: (3-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone chloride Formula: C13H18Cl2N2O2 MolecularWeight: 305.20022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)C2=CC(=CC=C2)Cl.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)C2=CC(=CC=C2)Cl.[Cl-]

InChI

InChI=1S/C13H17ClN2O2.ClH/c14-12-3-1-2-11(10-12)13(18)16-6-4-15(5-7-16)8-9-17;/h1-3,10,17H,4-9H2;1H