1-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one

Systemtic Name: 1-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Openeye Name: 1-[(4-benzoylpiperazin-1-ium-1-yl)methyl]benzo[f]chromen-3-one CAS Name: 1-[(4-benzoyl-1-piperazin-1-iumyl)methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(4-benzoylpiperazin-1-ium-1-yl)methyl]benzo[f]chromen-3-one Traditional Name: 1-[(4-benzoylpiperazin-1-ium-1-yl)methyl]benzo[f]chromen-3-one Formula: C25H23N2O3+ MolecularWeight: 399.46172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H22N2O3/c28-23-16-20(24-21-9-5-4-6-18(21)10-11-22(24)30-23)17-26-12-14-27(15-13-26)25(29)19-7-2-1-3-8-19/h1-11,16H,12-15,17H2/p+1