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

Systemtic Name: 1-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylphenyl]piperidin-2-one Openeye Name: 1-[4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonylphenyl]piperidin-2-one CAS Name: 1-[4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]-2-piperidinone IUPAC Name: 1-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylphenyl]piperidin-2-one Traditional Name: 1-[4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonylphenyl]-2-piperidone Formula: C24H30N3O3S+ MolecularWeight: 440.5783

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H29N3O3S/c28-24-10-4-5-16-27(24)22-11-13-23(14-12-22)31(29,30)26-19-17-25(18-20-26)15-6-9-21-7-2-1-3-8-21/h1-3,6-9,11-14H,4-5,10,15-20H2/p+1/b9-6+