1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzo[f]chromen-3-one

Systemtic Name: 1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzo[f]chromen-3-one Openeye Name: 1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzo[f]chromen-3-one CAS Name: 1-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzo[f]chromen-3-one Traditional Name: 1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzo[f]chromen-3-one Formula: C23H23N3O2+2 MolecularWeight: 373.44762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C5=CC=CC=[NH+]5

InChI

InChI=1S/C23H21N3O2/c27-22-15-18(23-19-6-2-1-5-17(19)8-9-20(23)28-22)16-25-11-13-26(14-12-25)21-7-3-4-10-24-21/h1-10,15H,11-14,16H2/p+2