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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3/c1-3-15-11-20(23)25-21-17(15)9-10-19-18(21)12-22(13-24-19)14(2)16-7-5-4-6-8-16/h4-11,14H,3,12-13H2,1-2H3/p+1/t14-/m1/s1