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

Systemtic Name: 1-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]benzo[f]chromen-3-one Openeye Name: 1-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]benzo[f]chromen-3-one CAS Name: 1-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]benzo[f]chromen-3-one Traditional Name: 1-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]benzo[f]chromen-3-one Formula: C25H26N2O2+2 MolecularWeight: 386.48614

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C25H24N2O2/c28-24-16-21(25-22-9-5-4-8-20(22)10-11-23(25)29-24)18-27-14-12-26(13-15-27)17-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2/p+2