(6,7-diethoxy-3-methyl-5-nitro-1-benzofuran-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone chloride

Systemtic Name: (6,7-diethoxy-3-methyl-5-nitro-1-benzofuran-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone chloride Openeye Name: (6,7-diethoxy-3-methyl-5-nitro-benzofuran-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone chloride CAS Name: (6,7-diethoxy-3-methyl-5-nitro-2-benzofuranyl)-(4-methyl-1-piperazin-4-iumyl)methanone chloride IUPAC Name: (6,7-diethoxy-3-methyl-5-nitro-1-benzofuran-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone chloride Traditional Name: (6,7-diethoxy-3-methyl-5-nitro-benzofuran-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone chloride Formula: C19H26ClN3O6 MolecularWeight: 427.87924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C(OC2=C1OCC)C(=O)N3CC[NH+](CC3)C)C)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CCOC1=C(C=C2C(=C(OC2=C1OCC)C(=O)N3CC[NH+](CC3)C)C)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C19H25N3O6.ClH/c1-5-26-17-14(22(24)25)11-13-12(3)15(28-16(13)18(17)27-6-2)19(23)21-9-7-20(4)8-10-21;/h11H,5-10H2,1-4H3;1H