N-[(2S)-3-methylbutan-2-yl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-3-methylbutan-2-yl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1S)-1,2-dimethylpropyl]acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-[(2S)-3-methylbutan-2-yl]acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1S)-1,2-dimethylpropyl]acetamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2/c1-14(2)15(3)19-17(22)13-20-9-11-21(12-10-20)18(23)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H,19,22)/p+1/t15-/m0/s1