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

Systemtic Name: 3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]chromen-4-one Openeye Name: 3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]chromen-4-one CAS Name: 3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]chromen-4-one Traditional Name: 3-[(4-pyridin-1-ium-2-ylpiperazino)methyl]chromone Formula: C19H20N3O2+ MolecularWeight: 322.381

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=COC3=CC=CC=C3C2=O)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1CC2=COC3=CC=CC=C3C2=O)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H19N3O2/c23-19-15(14-24-17-6-2-1-5-16(17)19)13-21-9-11-22(12-10-21)18-7-3-4-8-20-18/h1-8,14H,9-13H2/p+1