2-chloranyl-1-[4-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-yl]ethanone chloride

Systemtic Name: 2-chloranyl-1-[4-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-yl]ethanone chloride Openeye Name: 2-chloro-1-[4-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-yl]ethanone chloride CAS Name: 2-chloro-1-[4-(3,4,5-trimethoxyphenyl)-1-piperazin-4-iumyl]ethanone chloride IUPAC Name: 2-chloro-1-[4-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-yl]ethanone chloride Traditional Name: 2-chloro-1-[4-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-yl]ethanone chloride Formula: C15H22Cl2N2O4 MolecularWeight: 365.25218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)[NH+]2CCN(CC2)C(=O)CCl.[Cl-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[NH+]2CCN(CC2)C(=O)CCl.[Cl-]

InChI

InChI=1S/C15H21ClN2O4.ClH/c1-20-12-8-11(9-13(21-2)15(12)22-3)17-4-6-18(7-5-17)14(19)10-16;/h8-9H,4-7,10H2,1-3H3;1H