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

Systemtic Name: 4-methyl-9-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 4-methyl-9-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 4-methyl-9-[3-(4-morpholin-4-iumyl)propyl]-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 4-methyl-9-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 4-methyl-9-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C25H30N2O4+2 MolecularWeight: 422.5167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC3=C2C[NH+](CO3)CCC[NH+]4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC3=C2C[NH+](CO3)CCC[NH+]4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H28N2O4/c1-18-20-8-9-22-21(24(20)31-25(28)23(18)19-6-3-2-4-7-19)16-27(17-30-22)11-5-10-26-12-14-29-15-13-26/h2-4,6-9H,5,10-17H2,1H3/p+2