4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one

Systemtic Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Openeye Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-2-one IUPAC Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Traditional Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Formula: C23H24ClN2O2+ MolecularWeight: 395.90186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN2O2/c24-19-5-2-6-20(14-19)26-9-7-25(8-10-26)15-18-13-23(27)28-22-12-17-4-1-3-16(17)11-21(18)22/h2,5-6,11-14H,1,3-4,7-10,15H2/p+1