8-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylquinoline

Systemtic Name: 8-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylquinoline Openeye Name: 8-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonylquinoline CAS Name: 8-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]sulfonyl]quinoline IUPAC Name: 8-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylquinoline Traditional Name: 8-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonylquinoline Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H23N3O2S/c26-28(27,21-12-4-10-20-11-5-13-23-22(20)21)25-17-15-24(16-18-25)14-6-9-19-7-2-1-3-8-19/h1-13H,14-18H2/p+1/b9-6+