(1S)-2-(azepan-1-ium-1-yl)-1-(2-chloranyl-6-fluoranyl-phenyl)ethanol

Systemtic Name: (1S)-2-(azepan-1-ium-1-yl)-1-(2-chloranyl-6-fluoranyl-phenyl)ethanol Openeye Name: (1S)-2-(azepan-1-ium-1-yl)-1-(2-chloro-6-fluoro-phenyl)ethanol CAS Name: (1S)-2-(1-azepan-1-iumyl)-1-(2-chloro-6-fluorophenyl)ethanol IUPAC Name: (1S)-2-(azepan-1-ium-1-yl)-1-(2-chloro-6-fluorophenyl)ethanol Traditional Name: (1S)-2-(azepan-1-ium-1-yl)-1-(2-chloro-6-fluoro-phenyl)ethanol Formula: C14H20ClFNO+ MolecularWeight: 272.766103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(C2=C(C=CC=C2Cl)F)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@H](C2=C(C=CC=C2Cl)F)O

InChI

InChI=1S/C14H19ClFNO/c15-11-6-5-7-12(16)14(11)13(18)10-17-8-3-1-2-4-9-17/h5-7,13,18H,1-4,8-10H2/p+1/t13-/m1/s1