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

Systemtic Name: 7-oxidanyl-3-phenyl-8-[[4-(4-propan-2-ylphenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 7-hydroxy-8-[[4-(4-isopropylphenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-chromen-4-one CAS Name: 7-hydroxy-3-phenyl-8-[[4-(4-propan-2-ylphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-phenyl-8-[[4-(4-propan-2-ylphenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 7-hydroxy-8-[(4-p-cumenylpiperazin-1-ium-1-yl)methyl]-3-phenyl-chromone Formula: C29H31N2O3+ MolecularWeight: 455.56804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N2O3/c1-20(2)21-8-10-23(11-9-21)31-16-14-30(15-17-31)18-25-27(32)13-12-24-28(33)26(19-34-29(24)25)22-6-4-3-5-7-22/h3-13,19-20,32H,14-18H2,1-2H3/p+1