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

Systemtic Name: 4-[[(2S)-7-chloranyl-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-2-ethoxy-phenol Openeye Name: 4-[[(2S)-7-chloro-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-2-ethoxy-phenol CAS Name: 4-[[(2S)-7-chloro-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-2-ethoxyphenol IUPAC Name: 4-[[(2S)-7-chloro-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-2-ethoxyphenol Traditional Name: 4-[[(2S)-7-chloro-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-2-ethoxy-phenol Formula: C19H23ClNO3+ MolecularWeight: 348.84382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CC(OC3=C(C2)C=C(C=C3)Cl)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2C[C@@H](OC3=C(C2)C=C(C=C3)Cl)C)O

InChI

InChI=1S/C19H22ClNO3/c1-3-23-19-8-14(4-6-17(19)22)11-21-10-13(2)24-18-7-5-16(20)9-15(18)12-21/h4-9,13,22H,3,10-12H2,1-2H3/p+1/t13-/m0/s1