(2S)-1-(azepan-1-ium-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol

Systemtic Name: (2S)-1-(azepan-1-ium-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol Openeye Name: (2S)-1-(azepan-1-ium-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol CAS Name: (2S)-1-(1-azepan-1-iumyl)-3-[(4-chlorophenyl)methoxy]-2-propanol IUPAC Name: (2S)-1-(azepan-1-ium-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol Traditional Name: (2S)-1-(azepan-1-ium-1-yl)-3-(4-chlorobenzyl)oxy-propan-2-ol Formula: C16H25ClNO2+ MolecularWeight: 298.8282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(COCC2=CC=C(C=C2)Cl)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@@H](COCC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C16H24ClNO2/c17-15-7-5-14(6-8-15)12-20-13-16(19)11-18-9-3-1-2-4-10-18/h5-8,16,19H,1-4,9-13H2/p+1/t16-/m0/s1