(1S)-2-(azepan-1-ium-1-yl)-1-(2-chlorophenyl)ethanol

Systemtic Name: (1S)-2-(azepan-1-ium-1-yl)-1-(2-chlorophenyl)ethanol Openeye Name: (1S)-2-(azepan-1-ium-1-yl)-1-(2-chlorophenyl)ethanol CAS Name: (1S)-2-(1-azepan-1-iumyl)-1-(2-chlorophenyl)ethanol IUPAC Name: (1S)-2-(azepan-1-ium-1-yl)-1-(2-chlorophenyl)ethanol Traditional Name: (1S)-2-(azepan-1-ium-1-yl)-1-(2-chlorophenyl)ethanol Formula: C14H21ClNO+ MolecularWeight: 254.77564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClNO/c15-13-8-4-3-7-12(13)14(17)11-16-9-5-1-2-6-10-16/h3-4,7-8,14,17H,1-2,5-6,9-11H2/p+1/t14-/m1/s1