3-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one

Systemtic Name: 3-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Openeye Name: 3-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one CAS Name: 3-[3-(4-morpholin-4-iumyl)propyl]-3,4-dihydro-2H-[2]benzopyrano[3,4-f][1,3]benzoxazin-3-ium-6-one IUPAC Name: 3-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Traditional Name: 3-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Formula: C22H26N2O4+2 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC[NH+]2CC3=C(C=CC4=C3OC(=O)C5=CC=CC=C45)OC2

Isomeric SMILES

C1COCC[NH+]1CCC[NH+]2CC3=C(C=CC4=C3OC(=O)C5=CC=CC=C45)OC2

InChI

InChI=1S/C22H24N2O4/c25-22-18-5-2-1-4-16(18)17-6-7-20-19(21(17)28-22)14-24(15-27-20)9-3-8-23-10-12-26-13-11-23/h1-2,4-7H,3,8-15H2/p+2