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

Systemtic Name: 8-[[4-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-1-ium-1-yl]methyl]-7-oxidanyl-3-phenyl-chromen-4-one Openeye Name: 8-[[4-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-1-ium-1-yl]methyl]-7-hydroxy-3-phenyl-chromen-4-one CAS Name: 8-[[4-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-piperazin-1-iumyl]methyl]-7-hydroxy-3-phenyl-1-benzopyran-4-one IUPAC Name: 8-[[4-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-1-ium-1-yl]methyl]-7-hydroxy-3-phenylchromen-4-one Traditional Name: 8-[[4-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-1-ium-1-yl]methyl]-7-hydroxy-3-phenyl-chromone Formula: C30H33N2O5+ MolecularWeight: 501.59342

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H32N2O5/c1-20(22-9-12-27(35-2)28(17-22)36-3)32-15-13-31(14-16-32)18-24-26(33)11-10-23-29(34)25(19-37-30(23)24)21-7-5-4-6-8-21/h4-12,17,19-20,33H,13-16,18H2,1-3H3/p+1/t20-/m0/s1