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

Systemtic Name: [2-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzo[g][1]benzofuran-5-yl] ethanoate Openeye Name: [3-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-benzo[g]benzofuran-5-yl] acetate CAS Name: acetic acid [2-methyl-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-5-benzo[g]benzofuranyl] ester IUPAC Name: [3-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methylbenzo[g][1]benzofuran-5-yl] acetate Traditional Name: acetic acid [3-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-benzo[g]benzofuran-5-yl] ester Formula: C27H27N2O4+ MolecularWeight: 443.51428

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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)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)OC(=O)C)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N2O4/c1-18-25(27(31)29-14-12-28(13-15-29)17-20-8-4-3-5-9-20)23-16-24(33-19(2)30)21-10-6-7-11-22(21)26(23)32-18/h3-11,16H,12-15,17H2,1-2H3/p+1