(2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-propyl-propanamide

Systemtic Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-propyl-propanamide Openeye Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-propyl-propanamide CAS Name: (2S)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-propylpropanamide IUPAC Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-propylpropanamide Traditional Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-propyl-propionamide Formula: C16H25ClN3O+ MolecularWeight: 310.8422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)[NH+]1CCN(CC1)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCNC(=O)[C@H](C)[NH+]1CCN(CC1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H24ClN3O/c1-3-7-18-16(21)13(2)19-8-10-20(11-9-19)15-6-4-5-14(17)12-15/h4-6,12-13H,3,7-11H2,1-2H3,(H,18,21)/p+1/t13-/m0/s1