6-butyl-10-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one

Systemtic Name: 6-butyl-10-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Openeye Name: 6-butyl-10-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one CAS Name: 6-butyl-10-methyl-3-[3-(4-morpholin-4-iumyl)propyl]-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one IUPAC Name: 6-butyl-10-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Traditional Name: 6-butyl-10-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Formula: C23H34N2O4+2 MolecularWeight: 402.52706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)CCC[NH+]4CCOCC4)C=C12)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)CCC[NH+]4CCOCC4)C=C12)C

InChI

InChI=1S/C23H32N2O4/c1-3-4-6-18-14-21(26)29-23-17(2)22-19(13-20(18)23)15-25(16-28-22)8-5-7-24-9-11-27-12-10-24/h13-14H,3-12,15-16H2,1-2H3/p+2