1-[[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]methyl]benzo[f]chromen-3-one

Systemtic Name: 1-[[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]methyl]benzo[f]chromen-3-one Openeye Name: 1-[[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]methyl]benzo[f]chromen-3-one CAS Name: 1-[[4-(2-phenoxyethyl)-1-piperazine-1,4-diiumyl]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]methyl]benzo[f]chromen-3-one Traditional Name: 1-[[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]methyl]benzo[f]chromen-3-one Formula: C26H28N2O3+2 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCOC2=CC=CC=C2)CC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CCOC2=CC=CC=C2)CC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C26H26N2O3/c29-25-18-21(26-23-9-5-4-6-20(23)10-11-24(26)31-25)19-28-14-12-27(13-15-28)16-17-30-22-7-2-1-3-8-22/h1-11,18H,12-17,19H2/p+2