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

Systemtic Name: 2-chloranyl-1-[4-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-yl]propan-1-one chloride Openeye Name: 2-chloro-1-[4-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-yl]propan-1-one chloride CAS Name: 2-chloro-1-[4-(3,4,5-trimethoxyphenyl)-1-piperazin-4-iumyl]-1-propanone chloride IUPAC Name: 2-chloro-1-[4-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-yl]propan-1-one chloride Traditional Name: 2-chloro-1-[4-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-yl]propan-1-one chloride Formula: C16H24Cl2N2O4 MolecularWeight: 379.27876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)C2=CC(=C(C(=C2)OC)OC)OC)Cl.[Cl-]

Isomeric SMILES

CC(C(=O)N1CC[NH+](CC1)C2=CC(=C(C(=C2)OC)OC)OC)Cl.[Cl-]

InChI

InChI=1S/C16H23ClN2O4.ClH/c1-11(17)16(20)19-7-5-18(6-8-19)12-9-13(21-2)15(23-4)14(10-12)22-3;/h9-11H,5-8H2,1-4H3;1H