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

Systemtic Name: 4-butyl-6-chloranyl-9-[2-(3,4-dimethoxyphenyl)ethyl]-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 4-butyl-6-chloro-9-[2-(3,4-dimethoxyphenyl)ethyl]-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 4-butyl-6-chloro-9-[2-(3,4-dimethoxyphenyl)ethyl]-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 4-butyl-6-chloro-9-[2-(3,4-dimethoxyphenyl)ethyl]-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 4-butyl-6-chloro-9-homoveratryl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C25H29ClNO5+ MolecularWeight: 458.95446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C3C[NH+](COC3=C(C=C12)Cl)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCCCC1=CC(=O)OC2=C3C[NH+](COC3=C(C=C12)Cl)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H28ClNO5/c1-4-5-6-17-12-23(28)32-24-18(17)13-20(26)25-19(24)14-27(15-31-25)10-9-16-7-8-21(29-2)22(11-16)30-3/h7-8,11-13H,4-6,9-10,14-15H2,1-3H3/p+1