3-ethyl-4-methyl-9-(phenylmethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one

Systemtic Name: 3-ethyl-4-methyl-9-(phenylmethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 9-benzyl-3-ethyl-4-methyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 3-ethyl-4-methyl-9-(phenylmethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 9-benzyl-3-ethyl-4-methyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 9-benzyl-3-ethyl-4-methyl-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=C(C2=C(C3=C(C=C2)OC[NH+](C3)CC4=CC=CC=C4)OC1=O)C

Isomeric SMILES

CCC1=C(C2=C(C3=C(C=C2)OC[NH+](C3)CC4=CC=CC=C4)OC1=O)C

InChI

InChI=1S/C21H21NO3/c1-3-16-14(2)17-9-10-19-18(20(17)25-21(16)23)12-22(13-24-19)11-15-7-5-4-6-8-15/h4-10H,3,11-13H2,1-2H3/p+1