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

Systemtic Name: 3-[(2S)-butan-2-yl]-10-methyl-6-phenyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Openeye Name: 10-methyl-3-[(1S)-1-methylpropyl]-6-phenyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one CAS Name: 3-[(2S)-butan-2-yl]-10-methyl-6-phenyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one IUPAC Name: 3-[(2S)-butan-2-yl]-10-methyl-6-phenyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Traditional Name: 10-methyl-3-[(1S)-1-methylpropyl]-6-phenyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Formula: C22H24NO3+ MolecularWeight: 350.43086

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CC2=C(C(=C3C(=C2)C(=CC(=O)O3)C4=CC=CC=C4)C)OC1

Isomeric SMILES

CC[C@H](C)[NH+]1CC2=C(C(=C3C(=C2)C(=CC(=O)O3)C4=CC=CC=C4)C)OC1

InChI

InChI=1S/C22H23NO3/c1-4-14(2)23-12-17-10-19-18(16-8-6-5-7-9-16)11-20(24)26-22(19)15(3)21(17)25-13-23/h5-11,14H,4,12-13H2,1-3H3/p+1/t14-/m0/s1