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

Systemtic Name: 4-butyl-9-[(2R)-2-phenylpropyl]-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 4-butyl-9-[(2R)-2-phenylpropyl]-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 4-butyl-9-[(2R)-2-phenylpropyl]-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 4-butyl-9-[(2R)-2-phenylpropyl]-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 4-butyl-9-[(2R)-2-phenylpropyl]-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C24H28NO3+ MolecularWeight: 378.48402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC3=C2C[NH+](CO3)CC(C)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC3=C2C[NH+](CO3)C[C@H](C)C4=CC=CC=C4

InChI

InChI=1S/C24H27NO3/c1-3-4-8-19-13-23(26)28-24-20(19)11-12-22-21(24)15-25(16-27-22)14-17(2)18-9-6-5-7-10-18/h5-7,9-13,17H,3-4,8,14-16H2,1-2H3/p+1/t17-/m0/s1