3-(azepan-1-ium-1-yl)-1-(3-fluoranyl-4-methoxy-phenyl)-2-phenyl-propan-1-ol chloride

Systemtic Name: 3-(azepan-1-ium-1-yl)-1-(3-fluoranyl-4-methoxy-phenyl)-2-phenyl-propan-1-ol chloride Openeye Name: 3-(azepan-1-ium-1-yl)-1-(3-fluoro-4-methoxy-phenyl)-2-phenyl-propan-1-ol chloride CAS Name: 3-(1-azepan-1-iumyl)-1-(3-fluoro-4-methoxyphenyl)-2-phenyl-1-propanol chloride IUPAC Name: 3-(azepan-1-ium-1-yl)-1-(3-fluoro-4-methoxyphenyl)-2-phenylpropan-1-ol chloride Traditional Name: 3-(azepan-1-ium-1-yl)-1-(3-fluoro-4-methoxy-phenyl)-2-phenyl-propan-1-ol chloride Formula: C22H29ClFNO2 MolecularWeight: 393.922563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(C[NH+]2CCCCCC2)C3=CC=CC=C3)O)F.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(C(C[NH+]2CCCCCC2)C3=CC=CC=C3)O)F.[Cl-]

InChI

InChI=1S/C22H28FNO2.ClH/c1-26-21-12-11-18(15-20(21)23)22(25)19(17-9-5-4-6-10-17)16-24-13-7-2-3-8-14-24;/h4-6,9-12,15,19,22,25H,2-3,7-8,13-14,16H2,1H3;1H