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

Systemtic Name: 7-methyl-10-[(2S)-2-oxidanylpropyl]-10,11-dihydro-9H-isochromeno[4,3-g][1,3]benzoxazin-10-ium-5-one Openeye Name: 10-[(2S)-2-hydroxypropyl]-7-methyl-10,11-dihydro-9H-isochromeno[4,3-g][1,3]benzoxazin-10-ium-5-one CAS Name: 10-[(2S)-2-hydroxypropyl]-7-methyl-10,11-dihydro-9H-[2]benzopyrano[4,3-g][1,3]benzoxazin-10-ium-5-one IUPAC Name: 10-[(2S)-2-hydroxypropyl]-7-methyl-10,11-dihydro-9H-isochromeno[4,3-g][1,3]benzoxazin-10-ium-5-one Traditional Name: 10-[(2S)-2-hydroxypropyl]-7-methyl-10,11-dihydro-9H-isochromeno[4,3-g][1,3]benzoxazin-10-ium-5-one Formula: C19H20NO4+ MolecularWeight: 326.3664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC3=C1OC[NH+](C3)CC(C)O)C4=CC=CC=C4C(=O)O2

Isomeric SMILES

CC1=C2C(=CC3=C1OC[NH+](C3)C[C@H](C)O)C4=CC=CC=C4C(=O)O2

InChI

InChI=1S/C19H19NO4/c1-11(21)8-20-9-13-7-16-14-5-3-4-6-15(14)19(22)24-18(16)12(2)17(13)23-10-20/h3-7,11,21H,8-10H2,1-2H3/p+1/t11-/m0/s1