(1S)-2-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)ethanol

Systemtic Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)ethanol Openeye Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)ethanol CAS Name: (1S)-2-(1-azepan-1-iumyl)-1-(4-chlorophenyl)ethanol IUPAC Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)ethanol Traditional Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)ethanol Formula: C14H21ClNO+ MolecularWeight: 254.77564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClNO/c15-13-7-5-12(6-8-13)14(17)11-16-9-3-1-2-4-10-16/h5-8,14,17H,1-4,9-11H2/p+1/t14-/m1/s1