[2-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzo[g][1]benzofuran-5-yl] ethanoate

Systemtic Name: [2-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzo[g][1]benzofuran-5-yl] ethanoate Openeye Name: [2-methyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzo[g]benzofuran-5-yl] acetate CAS Name: acetic acid [2-methyl-3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-5-benzo[g]benzofuranyl] ester IUPAC Name: [2-methyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzo[g][1]benzofuran-5-yl] acetate Traditional Name: acetic acid [2-methyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzo[g]benzofuran-5-yl] ester Formula: C25H24N3O4+ MolecularWeight: 430.47576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)OC(=O)C)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)OC(=O)C)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C25H23N3O4/c1-16-23(25(30)28-13-11-27(12-14-28)22-9-5-6-10-26-22)20-15-21(32-17(2)29)18-7-3-4-8-19(18)24(20)31-16/h3-10,15H,11-14H2,1-2H3/p+1