3-(2-methoxyethyl)-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one

Systemtic Name: 3-(2-methoxyethyl)-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Openeye Name: 3-(2-methoxyethyl)-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one CAS Name: 3-(2-methoxyethyl)-3,4-dihydro-2H-[2]benzopyrano[3,4-f][1,3]benzoxazin-3-ium-6-one IUPAC Name: 3-(2-methoxyethyl)-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Traditional Name: 3-(2-methoxyethyl)-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Formula: C18H18NO4+ MolecularWeight: 312.33982

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+]1CC2=C(C=CC3=C2OC(=O)C4=CC=CC=C34)OC1

Isomeric SMILES

COCC[NH+]1CC2=C(C=CC3=C2OC(=O)C4=CC=CC=C34)OC1

InChI

InChI=1S/C18H17NO4/c1-21-9-8-19-10-15-16(22-11-19)7-6-13-12-4-2-3-5-14(12)18(20)23-17(13)15/h2-7H,8-11H2,1H3/p+1