7-oxidanyl-3-phenyl-8-[[4-(2,4,6-trimethylphenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one

Systemtic Name: 7-oxidanyl-3-phenyl-8-[[4-(2,4,6-trimethylphenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 7-hydroxy-3-phenyl-8-[[4-(2,4,6-trimethylphenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 7-hydroxy-3-phenyl-8-[[4-(2,4,6-trimethylphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-phenyl-8-[[4-(2,4,6-trimethylphenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 7-hydroxy-8-[(4-mesitylpiperazin-1-ium-1-yl)methyl]-3-phenyl-chromone Formula: C29H31N2O3+ MolecularWeight: 455.56804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N2CC[NH+](CC2)CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=CC=C5)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N2CC[NH+](CC2)CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=CC=C5)O)C

InChI

InChI=1S/C29H30N2O3/c1-19-15-20(2)27(21(3)16-19)31-13-11-30(12-14-31)17-24-26(32)10-9-23-28(33)25(18-34-29(23)24)22-7-5-4-6-8-22/h4-10,15-16,18,32H,11-14,17H2,1-3H3/p+1