1-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Formula: C21H25N2O3S+ MolecularWeight: 385.4998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3S/c1-18(24)20-9-11-21(12-10-20)27(25,26)23-16-14-22(15-17-23)13-5-8-19-6-3-2-4-7-19/h2-12H,13-17H2,1H3/p+1/b8-5+