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

Systemtic Name: 7-methyl-10-(3-morpholin-4-ylpropyl)-10,11-dihydro-9H-isochromeno[4,3-g][1,3]benzoxazin-10-ium-5-one Openeye Name: 7-methyl-10-(3-morpholinopropyl)-10,11-dihydro-9H-isochromeno[4,3-g][1,3]benzoxazin-10-ium-5-one CAS Name: 7-methyl-10-[3-(4-morpholinyl)propyl]-10,11-dihydro-9H-[2]benzopyrano[4,3-g][1,3]benzoxazin-10-ium-5-one IUPAC Name: 7-methyl-10-(3-morpholin-4-ylpropyl)-10,11-dihydro-9H-isochromeno[4,3-g][1,3]benzoxazin-10-ium-5-one Traditional Name: 7-methyl-10-(3-morpholinopropyl)-10,11-dihydro-9H-isochromeno[4,3-g][1,3]benzoxazin-10-ium-5-one Formula: C23H27N2O4+ MolecularWeight: 395.47148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC3=C1OC[NH+](C3)CCCN4CCOCC4)C5=CC=CC=C5C(=O)O2

Isomeric SMILES

CC1=C2C(=CC3=C1OC[NH+](C3)CCCN4CCOCC4)C5=CC=CC=C5C(=O)O2

InChI

InChI=1S/C23H26N2O4/c1-16-21-17(13-20-18-5-2-3-6-19(18)23(26)29-22(16)20)14-25(15-28-21)8-4-7-24-9-11-27-12-10-24/h2-3,5-6,13H,4,7-12,14-15H2,1H3/p+1