(2S)-2-(4-cyanophenoxy)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2/c1-18(28-21-9-7-19(17-23)8-10-21)22(27)24-11-12-25-13-15-26(16-14-25)20-5-3-2-4-6-20/h2-10,18H,11-16H2,1H3,(H,24,27)/p+1/t18-/m0/s1