3-[2-(3,4-dimethoxyphenyl)ethyl]-10-methyl-6-propyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-10-methyl-6-propyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-10-methyl-6-propyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-10-methyl-6-propyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-10-methyl-6-propyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Traditional Name: 3-homoveratryl-10-methyl-6-propyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Formula: C25H30NO5+ MolecularWeight: 424.5094

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)CCC4=CC(=C(C=C4)OC)OC)C=C12)C

Isomeric SMILES

CCCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)CCC4=CC(=C(C=C4)OC)OC)C=C12)C

InChI

InChI=1S/C25H29NO5/c1-5-6-18-13-23(27)31-25-16(2)24-19(12-20(18)25)14-26(15-30-24)10-9-17-7-8-21(28-3)22(11-17)29-4/h7-8,11-13H,5-6,9-10,14-15H2,1-4H3/p+1