ethyl 4-[(3-ethoxycarbonyl-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-4-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3-ethoxycarbonyl-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-4-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3-ethoxycarbonyl-5-hydroxy-2-methyl-benzo[g]benzofuran-4-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3-ethoxycarbonyl-5-hydroxy-2-methyl-4-benzo[g]benzofuranyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-ethoxycarbonyl-5-hydroxy-2-methylbenzo[g][1]benzofuran-4-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3-carbethoxy-5-hydroxy-2-methyl-benzo[g]benzofuran-4-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C24H29N2O6+ MolecularWeight: 441.49686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C[NH+]4CCN(CC4)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C[NH+]4CCN(CC4)C(=O)OCC)C

InChI

InChI=1S/C24H28N2O6/c1-4-30-23(28)19-15(3)32-22-17-9-7-6-8-16(17)21(27)18(20(19)22)14-25-10-12-26(13-11-25)24(29)31-5-2/h6-9,27H,4-5,10-14H2,1-3H3/p+1