9-(3-morpholin-4-ium-4-ylpropyl)-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one

Systemtic Name: 9-(3-morpholin-4-ium-4-ylpropyl)-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 9-(3-morpholin-4-ium-4-ylpropyl)-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 9-[3-(4-morpholin-4-iumyl)propyl]-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 9-(3-morpholin-4-ium-4-ylpropyl)-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 9-(3-morpholin-4-ium-4-ylpropyl)-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C24H28N2O4+2 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC[NH+]2CC3=C(C=CC4=C3OC(=O)C=C4C5=CC=CC=C5)OC2

Isomeric SMILES

C1COCC[NH+]1CCC[NH+]2CC3=C(C=CC4=C3OC(=O)C=C4C5=CC=CC=C5)OC2

InChI

InChI=1S/C24H26N2O4/c27-23-15-20(18-5-2-1-3-6-18)19-7-8-22-21(24(19)30-23)16-26(17-29-22)10-4-9-25-11-13-28-14-12-25/h1-3,5-8,15H,4,9-14,16-17H2/p+2