9-[(2S)-butan-2-yl]-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one

Systemtic Name: 9-[(2S)-butan-2-yl]-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 9-[(1S)-1-methylpropyl]-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 9-[(2S)-butan-2-yl]-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 9-[(2S)-butan-2-yl]-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 9-[(1S)-1-methylpropyl]-4-phenyl-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:

CCC(C)[NH+]1CC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4)OC1

Isomeric SMILES

CC[C@H](C)[NH+]1CC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4)OC1

InChI

InChI=1S/C21H21NO3/c1-3-14(2)22-12-18-19(24-13-22)10-9-16-17(11-20(23)25-21(16)18)15-7-5-4-6-8-15/h4-11,14H,3,12-13H2,1-2H3/p+1/t14-/m0/s1