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

Systemtic Name: (2S)-2-ethyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]hexan-1-one Openeye Name: (2S)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-ethyl-hexan-1-one CAS Name: (2S)-2-ethyl-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-1-hexanone IUPAC Name: (2S)-2-ethyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]hexan-1-one Traditional Name: (2S)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-ethyl-hexan-1-one Formula: C21H33N2O+ MolecularWeight: 329.49952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CC[NH+](CC1)CC=CC2=CC=CC=C2

Isomeric SMILES

CCCC[C@H](CC)C(=O)N1CC[NH+](CC1)C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H32N2O/c1-3-5-13-20(4-2)21(24)23-17-15-22(16-18-23)14-9-12-19-10-7-6-8-11-19/h6-12,20H,3-5,13-18H2,1-2H3/p+1/b12-9+/t20-/m0/s1