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

Systemtic Name: 5-methoxy-2-[[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Openeye Name: 5-methoxy-2-[[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol CAS Name: 5-methoxy-2-[[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol IUPAC Name: 5-methoxy-2-[[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Traditional Name: 5-methoxy-2-[[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Formula: C23H24NO3+ MolecularWeight: 362.44156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CC(OC3=CC=CC=C3C2)C4=CC=CC=C4)O

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2C[C@@H](OC3=CC=CC=C3C2)C4=CC=CC=C4)O

InChI

InChI=1S/C23H23NO3/c1-26-20-12-11-18(21(25)13-20)14-24-15-19-9-5-6-10-22(19)27-23(16-24)17-7-3-2-4-8-17/h2-13,23,25H,14-16H2,1H3/p+1/t23-/m1/s1