6-butyl-10-methyl-3-pyridin-1-ium-2-yl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one

Systemtic Name: 6-butyl-10-methyl-3-pyridin-1-ium-2-yl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one Openeye Name: 6-butyl-10-methyl-3-pyridin-1-ium-2-yl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one CAS Name: 6-butyl-10-methyl-3-(2-pyridin-1-iumyl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one IUPAC Name: 6-butyl-10-methyl-3-pyridin-1-ium-2-yl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one Traditional Name: 6-butyl-10-methyl-3-pyridin-1-ium-2-yl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one Formula: C21H23N2O3+ MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C(C3=C(CN(CO3)C4=CC=CC=[NH+]4)C=C12)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=C(C3=C(CN(CO3)C4=CC=CC=[NH+]4)C=C12)C

InChI

InChI=1S/C21H22N2O3/c1-3-4-7-15-11-19(24)26-21-14(2)20-16(10-17(15)21)12-23(13-25-20)18-8-5-6-9-22-18/h5-6,8-11H,3-4,7,12-13H2,1-2H3/p+1