2-[4-[[(2S)-2-(2-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenoxy]ethanol

Systemtic Name: 2-[4-[[(2S)-2-(2-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenoxy]ethanol Openeye Name: 2-[4-[[(2S)-2-(2-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenoxy]ethanol CAS Name: 2-[4-[[(2S)-2-(2-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenoxy]ethanol IUPAC Name: 2-[4-[[(2S)-2-(2-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenoxy]ethanol Traditional Name: 2-[4-[[(2S)-2-(2-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenoxy]ethanol Formula: C25H28NO4+ MolecularWeight: 406.49412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2C[NH+](CC3=CC=CC=C3O2)CC4=CC=C(C=C4)OCCO

Isomeric SMILES

COC1=CC=CC=C1[C@H]2C[NH+](CC3=CC=CC=C3O2)CC4=CC=C(C=C4)OCCO

InChI

InChI=1S/C25H27NO4/c1-28-24-9-5-3-7-22(24)25-18-26(17-20-6-2-4-8-23(20)30-25)16-19-10-12-21(13-11-19)29-15-14-27/h2-13,25,27H,14-18H2,1H3/p+1/t25-/m1/s1