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

Systemtic Name: 3-[[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Openeye Name: 3-[[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol CAS Name: 3-[[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol IUPAC Name: 3-[[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Traditional Name: 3-[[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Formula: C17H20NO2+ MolecularWeight: 270.3462

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=CC=CC=C2O1)CC3=CC(=CC=C3)O

Isomeric SMILES

C[C@H]1C[NH+](CC2=CC=CC=C2O1)CC3=CC(=CC=C3)O

InChI

InChI=1S/C17H19NO2/c1-13-10-18(11-14-5-4-7-16(19)9-14)12-15-6-2-3-8-17(15)20-13/h2-9,13,19H,10-12H2,1H3/p+1/t13-/m0/s1