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

Systemtic Name: 3-methoxy-2-[[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Openeye Name: 3-methoxy-2-[[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol CAS Name: 3-methoxy-2-[[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol IUPAC Name: 3-methoxy-2-[[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Traditional Name: 3-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=CC(=C1C[NH+]2CC(OC3=CC=CC=C3C2)C4=CC=CC=C4)O

Isomeric SMILES

COC1=CC=CC(=C1C[NH+]2C[C@@H](OC3=CC=CC=C3C2)C4=CC=CC=C4)O

InChI

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