(5-chloranyl-2-prop-2-enoxy-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone chloride

Systemtic Name: (5-chloranyl-2-prop-2-enoxy-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone chloride Openeye Name: (2-allyloxy-5-chloro-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone chloride CAS Name: (5-chloro-2-prop-2-enoxyphenyl)-(4-methyl-1-piperazin-4-iumyl)methanone chloride IUPAC Name: (5-chloro-2-prop-2-enoxyphenyl)-(4-methylpiperazin-4-ium-1-yl)methanone chloride Traditional Name: (2-allyloxy-5-chloro-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone chloride Formula: C15H20Cl2N2O2 MolecularWeight: 331.2375

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)OCC=C.[Cl-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)OCC=C.[Cl-]

InChI

InChI=1S/C15H19ClN2O2.ClH/c1-3-10-20-14-5-4-12(16)11-13(14)15(19)18-8-6-17(2)7-9-18;/h3-5,11H,1,6-10H2,2H3;1H