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

Systemtic Name: (1S,2R)-2-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-2-phenyl-ethanol Openeye Name: (1S,2R)-2-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-2-phenyl-ethanol CAS Name: (1S,2R)-2-(1-azepan-1-iumyl)-1-(4-chlorophenyl)-2-phenylethanol IUPAC Name: (1S,2R)-2-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-2-phenylethanol Traditional Name: (1S,2R)-2-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-2-phenyl-ethanol Formula: C20H25ClNO+ MolecularWeight: 330.8716

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C2=CC=CC=C2)C(C3=CC=C(C=C3)Cl)O

Isomeric SMILES

C1CCC[NH+](CC1)[C@H](C2=CC=CC=C2)[C@H](C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C20H24ClNO/c21-18-12-10-17(11-13-18)20(23)19(16-8-4-3-5-9-16)22-14-6-1-2-7-15-22/h3-5,8-13,19-20,23H,1-2,6-7,14-15H2/p+1/t19-,20+/m1/s1