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

Systemtic Name: 2-[[(2S)-7-chloranyl-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-3-methoxy-phenol Openeye Name: 2-[[(2S)-7-chloro-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-3-methoxy-phenol CAS Name: 2-[[(2S)-7-chloro-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-3-methoxyphenol IUPAC Name: 2-[[(2S)-7-chloro-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-3-methoxyphenol Traditional Name: 2-[[(2S)-7-chloro-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-3-methoxy-phenol Formula: C18H21ClNO3+ MolecularWeight: 334.81724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClNO3/c1-12-9-20(10-13-8-14(19)6-7-17(13)23-12)11-15-16(21)4-3-5-18(15)22-2/h3-8,12,21H,9-11H2,1-2H3/p+1/t12-/m0/s1