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

Systemtic Name: 8-[[4-[(1S)-1-(3,4-dimethylphenyl)ethyl]piperazin-1-ium-1-yl]methyl]-7-oxidanyl-3-phenyl-chromen-4-one Openeye Name: 8-[[4-[(1S)-1-(3,4-dimethylphenyl)ethyl]piperazin-1-ium-1-yl]methyl]-7-hydroxy-3-phenyl-chromen-4-one CAS Name: 8-[[4-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-piperazin-1-iumyl]methyl]-7-hydroxy-3-phenyl-1-benzopyran-4-one IUPAC Name: 8-[[4-[(1S)-1-(3,4-dimethylphenyl)ethyl]piperazin-1-ium-1-yl]methyl]-7-hydroxy-3-phenylchromen-4-one Traditional Name: 8-[[4-[(1S)-1-(3,4-dimethylphenyl)ethyl]piperazin-1-ium-1-yl]methyl]-7-hydroxy-3-phenyl-chromone Formula: C30H33N2O3+ MolecularWeight: 469.59462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32N2O3/c1-20-9-10-24(17-21(20)2)22(3)32-15-13-31(14-16-32)18-26-28(33)12-11-25-29(34)27(19-35-30(25)26)23-7-5-4-6-8-23/h4-12,17,19,22,33H,13-16,18H2,1-3H3/p+1/t22-/m0/s1