3-[2-(4-methoxyphenyl)ethyl]-10-methyl-6-phenyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one

Systemtic Name: 3-[2-(4-methoxyphenyl)ethyl]-10-methyl-6-phenyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Openeye Name: 3-[2-(4-methoxyphenyl)ethyl]-10-methyl-6-phenyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one CAS Name: 3-[2-(4-methoxyphenyl)ethyl]-10-methyl-6-phenyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one IUPAC Name: 3-[2-(4-methoxyphenyl)ethyl]-10-methyl-6-phenyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Traditional Name: 3-[2-(4-methoxyphenyl)ethyl]-10-methyl-6-phenyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Formula: C27H26NO4+ MolecularWeight: 428.49964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC3=C1OC[NH+](C3)CCC4=CC=C(C=C4)OC)C(=CC(=O)O2)C5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=CC3=C1OC[NH+](C3)CCC4=CC=C(C=C4)OC)C(=CC(=O)O2)C5=CC=CC=C5

InChI

InChI=1S/C27H25NO4/c1-18-26-21(16-28(17-31-26)13-12-19-8-10-22(30-2)11-9-19)14-24-23(15-25(29)32-27(18)24)20-6-4-3-5-7-20/h3-11,14-15H,12-13,16-17H2,1-2H3/p+1