3,4-dimethyl-9-phenethyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one

Systemtic Name: 3,4-dimethyl-9-phenethyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 3,4-dimethyl-9-phenethyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 3,4-dimethyl-9-phenethyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 3,4-dimethyl-9-phenethyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 3,4-dimethyl-9-phenethyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C21H22NO3+ MolecularWeight: 336.40428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC3=C2C[NH+](CO3)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC3=C2C[NH+](CO3)CCC4=CC=CC=C4)C

InChI

InChI=1S/C21H21NO3/c1-14-15(2)21(23)25-20-17(14)8-9-19-18(20)12-22(13-24-19)11-10-16-6-4-3-5-7-16/h3-9H,10-13H2,1-2H3/p+1