3-[[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]chromen-4-one

Systemtic Name: 3-[[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]chromen-4-one Openeye Name: 3-[[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]chromen-4-one CAS Name: 3-[[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]chromen-4-one Traditional Name: 3-[[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]chromone Formula: C25H22NO3+ MolecularWeight: 384.44708

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2C[NH+]1CC3=COC4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2C[NH+]1CC3=COC4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C25H21NO3/c27-25-20(17-28-23-13-7-5-11-21(23)25)15-26-14-19-10-4-6-12-22(19)29-24(16-26)18-8-2-1-3-9-18/h1-13,17,24H,14-16H2/p+1/t24-/m1/s1