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

Systemtic Name: 2-[[(2S)-2,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-3-methoxy-phenol Openeye Name: 2-[[(2S)-2,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-3-methoxy-phenol CAS Name: 2-[[(2S)-2,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-3-methoxyphenol IUPAC Name: 2-[[(2S)-2,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-3-methoxyphenol Traditional Name: 2-[[(2S)-2,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-3-methoxy-phenol Formula: C19H24NO3+ MolecularWeight: 314.39876

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=C(O1)C=CC(=C2)C)CC3=C(C=CC=C3OC)O

Isomeric SMILES

C[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)C)CC3=C(C=CC=C3OC)O

InChI

InChI=1S/C19H23NO3/c1-13-7-8-18-15(9-13)11-20(10-14(2)23-18)12-16-17(21)5-4-6-19(16)22-3/h4-9,14,21H,10-12H2,1-3H3/p+1/t14-/m0/s1