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

Systemtic Name: 1-(5-ethylsulfanyl-5,5-diphenyl-pent-2-ynyl)-1-methyl-4-phenyl-piperazin-1-ium Openeye Name: 1-(5-ethylsulfanyl-5,5-diphenyl-pent-2-ynyl)-1-methyl-4-phenyl-piperazin-1-ium CAS Name: 1-[5-(ethylthio)-5,5-diphenylpent-2-ynyl]-1-methyl-4-phenylpiperazin-1-ium IUPAC Name: 1-(5-ethylsulfanyl-5,5-diphenylpent-2-ynyl)-1-methyl-4-phenylpiperazin-1-ium Traditional Name: 1-[5-(ethylthio)-5,5-diphenyl-pent-2-ynyl]-1-methyl-4-phenyl-piperazin-1-ium Formula: C30H35N2S+ MolecularWeight: 455.6773

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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

Isomeric SMILES

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

InChI

InChI=1S/C30H35N2S/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/q+1