7-oxidanyl-3-phenyl-8-[[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazin-1-ium-1-yl]methyl]chromen-4-one

Systemtic Name: 7-oxidanyl-3-phenyl-8-[[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 7-hydroxy-8-[[4-[(1S)-1-(4-isopropylphenyl)ethyl]piperazin-1-ium-1-yl]methyl]-3-phenyl-chromen-4-one CAS Name: 7-hydroxy-3-phenyl-8-[[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-phenyl-8-[[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 7-hydroxy-8-[[4-[(1S)-1-p-cumenylethyl]piperazin-1-ium-1-yl]methyl]-3-phenyl-chromone Formula: C31H35N2O3+ MolecularWeight: 483.6212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C)N2CC[NH+](CC2)CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=CC=C5)O

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C(C)C)N2CC[NH+](CC2)CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=CC=C5)O

InChI

InChI=1S/C31H34N2O3/c1-21(2)23-9-11-24(12-10-23)22(3)33-17-15-32(16-18-33)19-27-29(34)14-13-26-30(35)28(20-36-31(26)27)25-7-5-4-6-8-25/h4-14,20-22,34H,15-19H2,1-3H3/p+1/t22-/m0/s1