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

Systemtic Name: 8-[[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]methyl]-7-oxidanyl-3-phenyl-chromen-4-one Openeye Name: 7-hydroxy-8-[[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]methyl]-3-phenyl-chromen-4-one CAS Name: 8-[[4-[(2S)-butan-2-yl]-1-piperazin-4-iumyl]methyl]-7-hydroxy-3-phenyl-1-benzopyran-4-one IUPAC Name: 8-[[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]methyl]-7-hydroxy-3-phenylchromen-4-one Traditional Name: 7-hydroxy-8-[[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]methyl]-3-phenyl-chromone Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O

Isomeric SMILES

CC[C@H](C)[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O

InChI

InChI=1S/C24H28N2O3/c1-3-17(2)26-13-11-25(12-14-26)15-20-22(27)10-9-19-23(28)21(16-29-24(19)20)18-7-5-4-6-8-18/h4-10,16-17,27H,3,11-15H2,1-2H3/p+1/t17-/m0/s1