7-methyl-10-pyridin-1-ium-2-yl-9,11-dihydroisochromeno[4,3-g][1,3]benzoxazin-5-one

Systemtic Name: 7-methyl-10-pyridin-1-ium-2-yl-9,11-dihydroisochromeno[4,3-g][1,3]benzoxazin-5-one Openeye Name: 7-methyl-10-pyridin-1-ium-2-yl-9,11-dihydroisochromeno[4,3-g][1,3]benzoxazin-5-one CAS Name: 7-methyl-10-(2-pyridin-1-iumyl)-9,11-dihydro[2]benzopyrano[4,3-g][1,3]benzoxazin-5-one IUPAC Name: 7-methyl-10-pyridin-1-ium-2-yl-9,11-dihydroisochromeno[4,3-g][1,3]benzoxazin-5-one Traditional Name: 7-methyl-10-pyridin-1-ium-2-yl-9,11-dihydroisochromeno[4,3-g][1,3]benzoxazin-5-one Formula: C21H17N2O3+ MolecularWeight: 345.37128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC3=C1OCN(C3)C4=CC=CC=[NH+]4)C5=CC=CC=C5C(=O)O2

Isomeric SMILES

CC1=C2C(=CC3=C1OCN(C3)C4=CC=CC=[NH+]4)C5=CC=CC=C5C(=O)O2

InChI

InChI=1S/C21H16N2O3/c1-13-19-14(11-23(12-25-19)18-8-4-5-9-22-18)10-17-15-6-2-3-7-16(15)21(24)26-20(13)17/h2-10H,11-12H2,1H3/p+1