2-chloranyl-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]quinoline

Systemtic Name: 2-chloranyl-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]quinoline Openeye Name: 2-chloro-3-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]quinoline CAS Name: 2-chloro-3-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]quinoline IUPAC Name: 2-chloro-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]quinoline Traditional Name: 2-chloro-3-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]quinoline Formula: C22H23ClN3O2S+ MolecularWeight: 428.95492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=CC=CC=C3N=C2Cl)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=CC=CC=C3N=C2Cl)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H22ClN3O2S/c23-22-20(16-19-8-4-5-9-21(19)24-22)17-25-11-13-26(14-12-25)29(27,28)15-10-18-6-2-1-3-7-18/h1-10,15-16H,11-14,17H2/p+1/b15-10+