(2R)-2-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-ium-1-yl]-N-phenyl-propanamide

Systemtic Name: (2R)-2-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: (2R)-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-ium-1-yl]-N-phenyl-propanamide CAS Name: (2R)-2-[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-1-iumyl]-N-phenylpropanamide IUPAC Name: (2R)-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-ium-1-yl]-N-phenylpropanamide Traditional Name: (2R)-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-ium-1-yl]-N-phenyl-propionamide Formula: C21H27ClN3O2+ MolecularWeight: 388.91098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)[NH+]2CCN(CC2)CCOC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)[NH+]2CCN(CC2)CCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3O2/c1-17(21(26)23-19-5-3-2-4-6-19)25-13-11-24(12-14-25)15-16-27-20-9-7-18(22)8-10-20/h2-10,17H,11-16H2,1H3,(H,23,26)/p+1/t17-/m1/s1