1-(5-ethylsulfanyl-5,5-diphenyl-pent-2-ynyl)-1-methyl-4-phenyl-piperazin-1-ium iodide

Systemtic Name: 1-(5-ethylsulfanyl-5,5-diphenyl-pent-2-ynyl)-1-methyl-4-phenyl-piperazin-1-ium iodide Openeye Name: 1-(5-ethylsulfanyl-5,5-diphenyl-pent-2-ynyl)-1-methyl-4-phenyl-piperazin-1-ium iodide CAS Name: 1-[5-(ethylthio)-5,5-diphenylpent-2-ynyl]-1-methyl-4-phenylpiperazin-1-ium iodide IUPAC Name: 1-(5-ethylsulfanyl-5,5-diphenylpent-2-ynyl)-1-methyl-4-phenylpiperazin-1-ium iodide Traditional Name: 1-[5-(ethylthio)-5,5-diphenyl-pent-2-ynyl]-1-methyl-4-phenyl-piperazin-1-ium iodide Formula: C30H35IN2S MolecularWeight: 582.58177

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(CC#CC[N+]1(CCN(CC1)C2=CC=CC=C2)C)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

CCSC(CC#CC[N+]1(CCN(CC1)C2=CC=CC=C2)C)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C30H35N2S.HI/c1-3-33-30(27-15-7-4-8-16-27,28-17-9-5-10-18-28)21-13-14-24-32(2)25-22-31(23-26-32)29-19-11-6-12-20-29;/h4-12,15-20H,3,21-26H2,1-2H3;1H/q+1;/p-1