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

Systemtic Name: (2R)-N-phenethyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2R)-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-phenethyl-propanamide CAS Name: (2R)-N-phenethyl-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2R)-N-phenethyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide Traditional Name: (2R)-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-phenethyl-propionamide Formula: C24H33N3O+2 MolecularWeight: 379.53832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CC=C1)[NH+]2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C24H31N3O/c1-21(24(28)25-15-14-23-11-6-3-7-12-23)27-19-17-26(18-20-27)16-8-13-22-9-4-2-5-10-22/h2-13,21H,14-20H2,1H3,(H,25,28)/p+2/b13-8+/t21-/m1/s1