ethyl 4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: ethyl 4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-5-hydroxy-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 4-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-5-hydroxy-2-methyl-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-5-hydroxy-2-methyl-benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C23H30N2O4+2 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=C(C3=CC=CC=C3C4=C2C(=C(O4)C)C(=O)OCC)O

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=C(C3=CC=CC=C3C4=C2C(=C(O4)C)C(=O)OCC)O

InChI

InChI=1S/C23H28N2O4/c1-4-24-10-12-25(13-11-24)14-18-20-19(23(27)28-5-2)15(3)29-22(20)17-9-7-6-8-16(17)21(18)26/h6-9,26H,4-5,10-14H2,1-3H3/p+2