1-[2,5-bis(chloranyl)-4-methoxy-phenyl]sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium

Systemtic Name: 1-[2,5-bis(chloranyl)-4-methoxy-phenyl]sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(E)-cinnamyl]-4-(2,5-dichloro-4-methoxy-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-[(E)-cinnamyl]-4-(2,5-dichloro-4-methoxy-phenyl)sulfonyl-piperazin-1-ium Formula: C20H23Cl2N2O3S+ MolecularWeight: 442.37922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1Cl)S(=O)(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)Cl

Isomeric SMILES

COC1=CC(=C(C=C1Cl)S(=O)(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)Cl

InChI

InChI=1S/C20H22Cl2N2O3S/c1-27-19-14-18(22)20(15-17(19)21)28(25,26)24-12-10-23(11-13-24)9-5-8-16-6-3-2-4-7-16/h2-8,14-15H,9-13H2,1H3/p+1/b8-5+