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

Systemtic Name: (2S)-N-ethyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2S)-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-ethyl-propanamide CAS Name: (2S)-N-ethyl-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2S)-N-ethyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide Traditional Name: (2S)-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-ethyl-propionamide Formula: C18H29N3O+2 MolecularWeight: 303.44236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O/c1-3-19-18(22)16(2)21-14-12-20(13-15-21)11-7-10-17-8-5-4-6-9-17/h4-10,16H,3,11-15H2,1-2H3,(H,19,22)/p+2/b10-7+/t16-/m0/s1