(2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]propionamide Formula: C16H24N3O+ MolecularWeight: 274.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)[NH+]1CCN(CC1)CC=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O/c1-14(16(17)20)19-12-10-18(11-13-19)9-5-8-15-6-3-2-4-7-15/h2-8,14H,9-13H2,1H3,(H2,17,20)/p+1/b8-5+/t14-/m0/s1