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

Systemtic Name: 6-butyl-10-methyl-3-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Openeye Name: 6-butyl-10-methyl-3-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one CAS Name: 6-butyl-10-methyl-3-[2-(4-morpholin-4-iumyl)ethyl]-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one IUPAC Name: 6-butyl-10-methyl-3-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Traditional Name: 6-butyl-10-methyl-3-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Formula: C22H32N2O4+2 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4/c1-3-4-5-17-13-20(25)28-22-16(2)21-18(12-19(17)22)14-24(15-27-21)7-6-23-8-10-26-11-9-23/h12-13H,3-11,14-15H2,1-2H3/p+2