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

Systemtic Name: 10-methyl-3-phenethyl-6-phenyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Openeye Name: 10-methyl-3-phenethyl-6-phenyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one CAS Name: 10-methyl-3-phenethyl-6-phenyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one IUPAC Name: 10-methyl-3-phenethyl-6-phenyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Traditional Name: 10-methyl-3-phenethyl-6-phenyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Formula: C26H24NO3+ MolecularWeight: 398.47366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23NO3/c1-18-25-21(16-27(17-29-25)13-12-19-8-4-2-5-9-19)14-23-22(15-24(28)30-26(18)23)20-10-6-3-7-11-20/h2-11,14-15H,12-13,16-17H2,1H3/p+1