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

Systemtic Name: 3-[[(2S)-7-chloranyl-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Openeye Name: 3-[[(2S)-7-chloro-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol CAS Name: 3-[[(2S)-7-chloro-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol IUPAC Name: 3-[[(2S)-7-chloro-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Traditional Name: 3-[[(2S)-7-chloro-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Formula: C17H19ClNO2+ MolecularWeight: 304.79126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClNO2/c1-12-9-19(10-13-3-2-4-16(20)7-13)11-14-8-15(18)5-6-17(14)21-12/h2-8,12,20H,9-11H2,1H3/p+1/t12-/m0/s1