1-[5,7-bis(chloranyl)-2-(2-methylprop-1-enyl)-1-benzofuran-3-yl]-4-methyl-piperazin-4-ium chloride

Systemtic Name: 1-[5,7-bis(chloranyl)-2-(2-methylprop-1-enyl)-1-benzofuran-3-yl]-4-methyl-piperazin-4-ium chloride Openeye Name: 1-[5,7-dichloro-2-(2-methylprop-1-enyl)benzofuran-3-yl]-4-methyl-piperazin-4-ium chloride CAS Name: 1-[5,7-dichloro-2-(2-methylprop-1-enyl)-3-benzofuranyl]-4-methylpiperazin-4-ium chloride IUPAC Name: 1-[5,7-dichloro-2-(2-methylprop-1-enyl)-1-benzofuran-3-yl]-4-methylpiperazin-4-ium chloride Traditional Name: 1-[5,7-dichloro-2-(2-methylprop-1-enyl)benzofuran-3-yl]-4-methyl-piperazin-4-ium chloride Formula: C17H21Cl3N2O MolecularWeight: 375.72044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=C(C2=CC(=CC(=C2O1)Cl)Cl)N3CC[NH+](CC3)C)C.[Cl-]

Isomeric SMILES

CC(=CC1=C(C2=CC(=CC(=C2O1)Cl)Cl)N3CC[NH+](CC3)C)C.[Cl-]

InChI

InChI=1S/C17H20Cl2N2O.ClH/c1-11(2)8-15-16(21-6-4-20(3)5-7-21)13-9-12(18)10-14(19)17(13)22-15;/h8-10H,4-7H2,1-3H3;1H