1-methyl-4-(3-phenylsulfanylpropyl)piperazin-1-ium

Systemtic Name: 1-methyl-4-(3-phenylsulfanylpropyl)piperazin-1-ium Openeye Name: 1-methyl-4-(3-phenylsulfanylpropyl)piperazin-1-ium CAS Name: 1-methyl-4-[3-(phenylthio)propyl]piperazin-1-ium IUPAC Name: 1-methyl-4-(3-phenylsulfanylpropyl)piperazin-1-ium Traditional Name: 1-methyl-4-[3-(phenylthio)propyl]piperazin-1-ium Formula: C14H23N2S+ MolecularWeight: 251.41082

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCCSC2=CC=CC=C2

Isomeric SMILES

C[NH+]1CCN(CC1)CCCSC2=CC=CC=C2

InChI

InChI=1S/C14H22N2S/c1-15-9-11-16(12-10-15)8-5-13-17-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3/p+1