(2R)-N-tert-butyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: (2R)-N-tert-butyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2R)-N-tert-butyl-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]propanamide CAS Name: (2R)-N-tert-butyl-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2R)-N-tert-butyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide Traditional Name: (2R)-N-tert-butyl-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]propionamide Formula: C20H33N3O+2 MolecularWeight: 331.49552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O/c1-17(19(24)21-20(2,3)4)23-15-13-22(14-16-23)12-8-11-18-9-6-5-7-10-18/h5-11,17H,12-16H2,1-4H3,(H,21,24)/p+2/b11-8+/t17-/m1/s1