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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC3=C2C[NH+](CO3)CCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC3=C2C[NH+](CO3)CCC4=CC=CC=C4

InChI

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