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

Systemtic Name: (2S)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]-N-prop-2-enyl-propanamide Openeye Name: (2S)-N-allyl-2-(4-benzoylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-2-(4-benzoyl-1-piperazin-1-iumyl)-N-prop-2-enylpropanamide IUPAC Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-prop-2-enylpropanamide Traditional Name: (2S)-N-allyl-2-(4-benzoylpiperazin-1-ium-1-yl)propionamide Formula: C17H24N3O2+ MolecularWeight: 302.39136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O2/c1-3-9-18-16(21)14(2)19-10-12-20(13-11-19)17(22)15-7-5-4-6-8-15/h3-8,14H,1,9-13H2,2H3,(H,18,21)/p+1/t14-/m0/s1