4-butyl-6-chloranyl-9-(2-methoxyethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one

Systemtic Name: 4-butyl-6-chloranyl-9-(2-methoxyethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 4-butyl-6-chloro-9-(2-methoxyethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 4-butyl-6-chloro-9-(2-methoxyethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 4-butyl-6-chloro-9-(2-methoxyethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 4-butyl-6-chloro-9-(2-methoxyethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C18H23ClNO4+ MolecularWeight: 352.83252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C3C[NH+](COC3=C(C=C12)Cl)CCOC

Isomeric SMILES

CCCCC1=CC(=O)OC2=C3C[NH+](COC3=C(C=C12)Cl)CCOC

InChI

InChI=1S/C18H22ClNO4/c1-3-4-5-12-8-16(21)24-17-13(12)9-15(19)18-14(17)10-20(11-23-18)6-7-22-2/h8-9H,3-7,10-11H2,1-2H3/p+1