6,10-dimethyl-3-phenethyl-7-(phenylmethyl)-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one

Systemtic Name: 6,10-dimethyl-3-phenethyl-7-(phenylmethyl)-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Openeye Name: 7-benzyl-6,10-dimethyl-3-phenethyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one CAS Name: 6,10-dimethyl-3-phenethyl-7-(phenylmethyl)-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one IUPAC Name: 7-benzyl-6,10-dimethyl-3-phenethyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Traditional Name: 7-benzyl-6,10-dimethyl-3-phenethyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Formula: C28H28NO3+ MolecularWeight: 426.52682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C3=C(C[NH+](CO3)CCC4=CC=CC=C4)C=C12)C)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)OC2=C(C3=C(C[NH+](CO3)CCC4=CC=CC=C4)C=C12)C)CC5=CC=CC=C5

InChI

InChI=1S/C28H27NO3/c1-19-24-16-23-17-29(14-13-21-9-5-3-6-10-21)18-31-26(23)20(2)27(24)32-28(30)25(19)15-22-11-7-4-8-12-22/h3-12,16H,13-15,17-18H2,1-2H3/p+1