4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one

Systemtic Name: 4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Openeye Name: 4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one CAS Name: 4-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-2-one IUPAC Name: 4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Traditional Name: 4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Formula: C23H24N3O4+ MolecularWeight: 406.45436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)C[NH+]4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)C[NH+]4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O4/c27-23-14-18(21-12-16-2-1-3-17(16)13-22(21)30-23)15-24-8-10-25(11-9-24)19-4-6-20(7-5-19)26(28)29/h4-7,12-14H,1-3,8-11,15H2/p+1