4-butyl-9-pyridin-1-ium-2-yl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one

Systemtic Name: 4-butyl-9-pyridin-1-ium-2-yl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one Openeye Name: 4-butyl-9-pyridin-1-ium-2-yl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one CAS Name: 4-butyl-9-(2-pyridin-1-iumyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one IUPAC Name: 4-butyl-9-pyridin-1-ium-2-yl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one Traditional Name: 4-butyl-9-pyridin-1-ium-2-yl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one Formula: C20H21N2O3+ MolecularWeight: 337.39234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC3=C2CN(CO3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC3=C2CN(CO3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H20N2O3/c1-2-3-6-14-11-19(23)25-20-15(14)8-9-17-16(20)12-22(13-24-17)18-7-4-5-10-21-18/h4-5,7-11H,2-3,6,12-13H2,1H3/p+1