ethyl 2-methyl-4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-5-oxidanylidene-benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: ethyl 2-methyl-4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-5-oxidanylidene-benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 2-methyl-4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-5-oxo-benzo[g]benzofuran-3-carboxylate CAS Name: 2-methyl-4-[[(4-methyl-1-piperazin-4-iumyl)amino]methylidene]-5-oxo-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-5-oxobenzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-keto-2-methyl-4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=CNN3CC[NH+](CC3)C)C(=O)C4=CC=CC=C42)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=CNN3CC[NH+](CC3)C)C(=O)C4=CC=CC=C42)C

InChI

InChI=1S/C22H25N3O4/c1-4-28-22(27)18-14(2)29-21-16-8-6-5-7-15(16)20(26)17(19(18)21)13-23-25-11-9-24(3)10-12-25/h5-8,13,23H,4,9-12H2,1-3H3/p+1