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

Systemtic Name: (6,7-dimethoxy-3-methyl-5-nitro-1-benzofuran-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (6,7-dimethoxy-3-methyl-5-nitro-benzofuran-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (6,7-dimethoxy-3-methyl-5-nitro-2-benzofuranyl)-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (6,7-dimethoxy-3-methyl-5-nitro-1-benzofuran-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (6,7-dimethoxy-3-methyl-5-nitro-benzofuran-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C17H22N3O6+ MolecularWeight: 364.37308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C(=C(C=C12)[N+](=O)[O-])OC)OC)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(OC2=C(C(=C(C=C12)[N+](=O)[O-])OC)OC)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H21N3O6/c1-10-11-9-12(20(22)23)15(24-3)16(25-4)14(11)26-13(10)17(21)19-7-5-18(2)6-8-19/h9H,5-8H2,1-4H3/p+1