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

Systemtic Name: (2S)-N-aminocarbonyl-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-carbamoyl-propanamide CAS Name: (2S)-2-(4-benzoyl-1-piperazin-1-iumyl)-N-carbamoylpropanamide IUPAC Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-carbamoylpropanamide Traditional Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-carbamoyl-propionamide Formula: C15H21N4O3+ MolecularWeight: 305.35224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O3/c1-11(13(20)17-15(16)22)18-7-9-19(10-8-18)14(21)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H3,16,17,20,22)/p+1/t11-/m0/s1