3-[[(2S)-2,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol

Systemtic Name: 3-[[(2S)-2,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Openeye Name: 3-[[(2S)-2,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol CAS Name: 3-[[(2S)-2,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol IUPAC Name: 3-[[(2S)-2,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Traditional Name: 3-[[(2S)-2,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Formula: C18H22NO2+ MolecularWeight: 284.37278

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=C(O1)C=CC(=C2)C)CC3=CC(=CC=C3)O

Isomeric SMILES

C[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)C)CC3=CC(=CC=C3)O

InChI

InChI=1S/C18H21NO2/c1-13-6-7-18-16(8-13)12-19(10-14(2)21-18)11-15-4-3-5-17(20)9-15/h3-9,14,20H,10-12H2,1-2H3/p+1/t14-/m0/s1