3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-4-one

Systemtic Name: 3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-4-one Openeye Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]chromen-4-one CAS Name: 3-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]chromen-4-one Traditional Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]chromone Formula: C21H24N2O2+2 MolecularWeight: 336.42746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=COC4=CC=CC=C4C3=O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=COC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H22N2O2/c24-21-18(16-25-20-9-5-4-8-19(20)21)15-23-12-10-22(11-13-23)14-17-6-2-1-3-7-17/h1-9,16H,10-15H2/p+2