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

Systemtic Name: 6-oxidanyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 6-hydroxy-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 6-hydroxy-4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-hydroxy-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 6-hydroxy-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C19H21N3O3+2 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=C(C=C3)O)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=C(C=C3)O)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H19N3O3/c23-15-4-5-17-16(12-15)14(11-19(24)25-17)13-21-7-9-22(10-8-21)18-3-1-2-6-20-18/h1-6,11-12,23H,7-10,13H2/p+2