2-[[(2S)-8-chloranyl-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol

Systemtic Name: 2-[[(2S)-8-chloranyl-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Openeye Name: 2-[[(2S)-8-chloro-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol CAS Name: 2-[[(2S)-8-chloro-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol IUPAC Name: 2-[[(2S)-8-chloro-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Traditional Name: 2-[[(2S)-8-chloro-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Formula: C18H21ClNO2+ MolecularWeight: 318.81784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CC2=C(O1)C=C(C=C2)Cl)CC3=CC=CC=C3O

Isomeric SMILES

CC[C@H]1C[NH+](CC2=C(O1)C=C(C=C2)Cl)CC3=CC=CC=C3O

InChI

InChI=1S/C18H20ClNO2/c1-2-16-12-20(10-13-5-3-4-6-17(13)21)11-14-7-8-15(19)9-18(14)22-16/h3-9,16,21H,2,10-12H2,1H3/p+1/t16-/m0/s1