1-[(E)-3-phenylprop-2-enyl]-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(E)-3-phenylprop-2-enyl]-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(E)-cinnamyl]-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(E)-3-phenylprop-2-enyl]-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(E)-3-phenylprop-2-enyl]-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(E)-cinnamyl]-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium Formula: C23H31N2O2S+ MolecularWeight: 399.56944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)C)C

InChI

InChI=1S/C23H30N2O2S/c1-18-17-19(2)21(4)23(20(18)3)28(26,27)25-15-13-24(14-16-25)12-8-11-22-9-6-5-7-10-22/h5-11,17H,12-16H2,1-4H3/p+1/b11-8+