1-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one

Systemtic Name: 1-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Openeye Name: 1-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one CAS Name: 1-[[4-(4-acetylphenyl)-1-piperazin-1-iumyl]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Traditional Name: 1-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Formula: C26H25N2O3+ MolecularWeight: 413.4883

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C26H24N2O3/c1-18(29)19-6-9-22(10-7-19)28-14-12-27(13-15-28)17-21-16-25(30)31-24-11-8-20-4-2-3-5-23(20)26(21)24/h2-11,16H,12-15,17H2,1H3/p+1