(2S)-N-ethyl-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-ethyl-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-ethyl-propanamide CAS Name: (2S)-2-(4-benzoyl-1-piperazin-1-iumyl)-N-ethylpropanamide IUPAC Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-ethylpropanamide Traditional Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-ethyl-propionamide Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2/c1-3-17-15(20)13(2)18-9-11-19(12-10-18)16(21)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,17,20)/p+1/t13-/m0/s1