(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-propyl-propanamide

Systemtic Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-propyl-propanamide Openeye Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-propyl-propanamide CAS Name: (2S)-2-(4-phenyl-1-piperazin-1-iumyl)-N-propylpropanamide IUPAC Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-propylpropanamide Traditional Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-propyl-propionamide Formula: C16H26N3O+ MolecularWeight: 276.39714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-3-9-17-16(20)14(2)18-10-12-19(13-11-18)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H,17,20)/p+1/t14-/m0/s1