8-[[4-(4-cyclohexylphenyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-3-phenyl-chromen-4-one

Systemtic Name: 8-[[4-(4-cyclohexylphenyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-3-phenyl-chromen-4-one Openeye Name: 8-[[4-(4-cyclohexylphenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-3-phenyl-chromen-4-one CAS Name: 8-[[4-(4-cyclohexylphenyl)-1-piperazin-1-iumyl]methyl]-7-hydroxy-3-phenyl-1-benzopyran-4-one IUPAC Name: 8-[[4-(4-cyclohexylphenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-3-phenylchromen-4-one Traditional Name: 8-[[4-(4-cyclohexylphenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-3-phenyl-chromone Formula: C32H35N2O3+ MolecularWeight: 495.6319

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)N3CC[NH+](CC3)CC4=C(C=CC5=C4OC=C(C5=O)C6=CC=CC=C6)O

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)N3CC[NH+](CC3)CC4=C(C=CC5=C4OC=C(C5=O)C6=CC=CC=C6)O

InChI

InChI=1S/C32H34N2O3/c35-30-16-15-27-31(36)29(25-9-5-2-6-10-25)22-37-32(27)28(30)21-33-17-19-34(20-18-33)26-13-11-24(12-14-26)23-7-3-1-4-8-23/h2,5-6,9-16,22-23,35H,1,3-4,7-8,17-21H2/p+1