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

Systemtic Name: 7-oxidanyl-3-phenyl-8-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]chromen-4-one Openeye Name: 8-[(4-benzylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-3-phenyl-chromen-4-one CAS Name: 7-hydroxy-3-phenyl-8-[[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 8-[(4-benzylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-3-phenylchromen-4-one Traditional Name: 8-[(4-benzylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-3-phenyl-chromone Formula: C27H27N2O3+ MolecularWeight: 427.51488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=CC=C5)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=CC=C5)O

InChI

InChI=1S/C27H26N2O3/c30-25-12-11-22-26(31)24(21-9-5-2-6-10-21)19-32-27(22)23(25)18-29-15-13-28(14-16-29)17-20-7-3-1-4-8-20/h1-12,19,30H,13-18H2/p+1