7-oxidanyl-3-phenyl-8-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]chromen-4-one

Systemtic Name: 7-oxidanyl-3-phenyl-8-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]chromen-4-one Openeye Name: 7-hydroxy-3-phenyl-8-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]chromen-4-one CAS Name: 7-hydroxy-3-phenyl-8-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-phenyl-8-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]chromen-4-one Traditional Name: 7-hydroxy-3-phenyl-8-[(4-pyridin-1-ium-2-ylpiperazino)methyl]chromone Formula: C25H24N3O3+ MolecularWeight: 414.47636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O)C5=CC=CC=[NH+]5

InChI

InChI=1S/C25H23N3O3/c29-22-10-9-19-24(30)21(18-6-2-1-3-7-18)17-31-25(19)20(22)16-27-12-14-28(15-13-27)23-8-4-5-11-26-23/h1-11,17,29H,12-16H2/p+1