(2S)-2-(4-cyanophenoxy)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide

Systemtic Name: (2S)-2-(4-cyanophenoxy)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide Openeye Name: (2S)-2-(4-cyanophenoxy)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide CAS Name: (2S)-2-(4-cyanophenoxy)-N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]propanamide IUPAC Name: (2S)-2-(4-cyanophenoxy)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide Traditional Name: (2S)-2-(4-cyanophenoxy)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]propionamide Formula: C22H27N4O2+ MolecularWeight: 379.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C(C)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)[C@H](C)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H26N4O2/c1-3-25-12-14-26(15-13-25)21-7-5-4-6-20(21)24-22(27)17(2)28-19-10-8-18(16-23)9-11-19/h4-11,17H,3,12-15H2,1-2H3,(H,24,27)/p+1/t17-/m0/s1