2,6-dimethoxy-4-[[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol

Systemtic Name: 2,6-dimethoxy-4-[[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Openeye Name: 2,6-dimethoxy-4-[[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol CAS Name: 2,6-dimethoxy-4-[[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol IUPAC Name: 2,6-dimethoxy-4-[[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Traditional Name: 2,6-dimethoxy-4-[[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Formula: C19H24NO4+ MolecularWeight: 330.39816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO4/c1-13-10-20(12-15-6-4-5-7-16(15)24-13)11-14-8-17(22-2)19(21)18(9-14)23-3/h4-9,13,21H,10-12H2,1-3H3/p+1/t13-/m0/s1