(2S)-N-[(2-chlorophenyl)methyl]-2-piperazin-1-ium-1-yl-propanamide

Systemtic Name: (2S)-N-[(2-chlorophenyl)methyl]-2-piperazin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-[(2-chlorophenyl)methyl]-2-piperazin-1-ium-1-yl-propanamide CAS Name: (2S)-N-[(2-chlorophenyl)methyl]-2-(1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-[(2-chlorophenyl)methyl]-2-piperazin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-(2-chlorobenzyl)-2-piperazin-1-ium-1-yl-propionamide Formula: C14H21ClN3O+ MolecularWeight: 282.78904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1Cl)[NH+]2CCNCC2

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1Cl)[NH+]2CCNCC2

InChI

InChI=1S/C14H20ClN3O/c1-11(18-8-6-16-7-9-18)14(19)17-10-12-4-2-3-5-13(12)15/h2-5,11,16H,6-10H2,1H3,(H,17,19)/p+1/t11-/m0/s1