10-[(2S)-butan-2-yl]-7-methyl-10,11-dihydro-9H-isochromeno[4,3-g][1,3]benzoxazin-10-ium-5-one

Systemtic Name: 10-[(2S)-butan-2-yl]-7-methyl-10,11-dihydro-9H-isochromeno[4,3-g][1,3]benzoxazin-10-ium-5-one Openeye Name: 7-methyl-10-[(1S)-1-methylpropyl]-10,11-dihydro-9H-isochromeno[4,3-g][1,3]benzoxazin-10-ium-5-one CAS Name: 10-[(2S)-butan-2-yl]-7-methyl-10,11-dihydro-9H-[2]benzopyrano[4,3-g][1,3]benzoxazin-10-ium-5-one IUPAC Name: 10-[(2S)-butan-2-yl]-7-methyl-10,11-dihydro-9H-isochromeno[4,3-g][1,3]benzoxazin-10-ium-5-one Traditional Name: 7-methyl-10-[(1S)-1-methylpropyl]-10,11-dihydro-9H-isochromeno[4,3-g][1,3]benzoxazin-10-ium-5-one Formula: C20H22NO3+ MolecularWeight: 324.39358

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CC2=C(C(=C3C(=C2)C4=CC=CC=C4C(=O)O3)C)OC1

Isomeric SMILES

CC[C@H](C)[NH+]1CC2=C(C(=C3C(=C2)C4=CC=CC=C4C(=O)O3)C)OC1

InChI

InChI=1S/C20H21NO3/c1-4-12(2)21-10-14-9-17-15-7-5-6-8-16(15)20(22)24-19(17)13(3)18(14)23-11-21/h5-9,12H,4,10-11H2,1-3H3/p+1/t12-/m0/s1