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

Systemtic Name: (2S)-N-[2-(3-chlorophenyl)ethyl]-2-piperazin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-[2-(3-chlorophenyl)ethyl]-2-piperazin-1-ium-1-yl-propanamide CAS Name: (2S)-N-[2-(3-chlorophenyl)ethyl]-2-(1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-[2-(3-chlorophenyl)ethyl]-2-piperazin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-[2-(3-chlorophenyl)ethyl]-2-piperazin-1-ium-1-yl-propionamide Formula: C15H23ClN3O+ MolecularWeight: 296.81562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC(=CC=C1)Cl)[NH+]2CCNCC2

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC(=CC=C1)Cl)[NH+]2CCNCC2

InChI

InChI=1S/C15H22ClN3O/c1-12(19-9-7-17-8-10-19)15(20)18-6-5-13-3-2-4-14(16)11-13/h2-4,11-12,17H,5-10H2,1H3,(H,18,20)/p+1/t12-/m0/s1