(2S)-N-(2-chlorophenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2-chlorophenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2-chlorophenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(2-chlorophenyl)-2-(4-phenethyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(2-chlorophenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(2-chlorophenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)propionamide Formula: C21H27ClN3O+ MolecularWeight: 372.91158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1Cl)[NH+]2CCN(CC2)CCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1Cl)[NH+]2CCN(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H26ClN3O/c1-17(21(26)23-20-10-6-5-9-19(20)22)25-15-13-24(14-16-25)12-11-18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3,(H,23,26)/p+1/t17-/m0/s1