1-(6-chloranylpyridin-3-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium

Systemtic Name: 1-(6-chloranylpyridin-3-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(6-chloro-3-pyridyl)sulfonyl]-4-[(E)-cinnamyl]piperazin-4-ium CAS Name: 1-[(6-chloro-3-pyridinyl)sulfonyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-(6-chloropyridin-3-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-[(6-chloro-3-pyridyl)sulfonyl]-4-[(E)-cinnamyl]piperazin-4-ium Formula: C18H21ClN3O2S+ MolecularWeight: 378.89624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)S(=O)(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)S(=O)(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C18H20ClN3O2S/c19-18-9-8-17(15-20-18)25(23,24)22-13-11-21(12-14-22)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2/p+1/b7-4+