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

Systemtic Name: 8-[[4-[(1S)-1-(4-cyclohexylphenyl)ethyl]piperazin-1-ium-1-yl]methyl]-7-oxidanyl-3-phenyl-chromen-4-one Openeye Name: 8-[[4-[(1S)-1-(4-cyclohexylphenyl)ethyl]piperazin-1-ium-1-yl]methyl]-7-hydroxy-3-phenyl-chromen-4-one CAS Name: 8-[[4-[(1S)-1-(4-cyclohexylphenyl)ethyl]-1-piperazin-1-iumyl]methyl]-7-hydroxy-3-phenyl-1-benzopyran-4-one IUPAC Name: 8-[[4-[(1S)-1-(4-cyclohexylphenyl)ethyl]piperazin-1-ium-1-yl]methyl]-7-hydroxy-3-phenylchromen-4-one Traditional Name: 8-[[4-[(1S)-1-(4-cyclohexylphenyl)ethyl]piperazin-1-ium-1-yl]methyl]-7-hydroxy-3-phenyl-chromone Formula: C34H39N2O3+ MolecularWeight: 523.68506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2CCCCC2)N3CC[NH+](CC3)CC4=C(C=CC5=C4OC=C(C5=O)C6=CC=CC=C6)O

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C2CCCCC2)N3CC[NH+](CC3)CC4=C(C=CC5=C4OC=C(C5=O)C6=CC=CC=C6)O

InChI

InChI=1S/C34H38N2O3/c1-24(25-12-14-27(15-13-25)26-8-4-2-5-9-26)36-20-18-35(19-21-36)22-30-32(37)17-16-29-33(38)31(23-39-34(29)30)28-10-6-3-7-11-28/h3,6-7,10-17,23-24,26,37H,2,4-5,8-9,18-22H2,1H3/p+1/t24-/m0/s1