1-[3-(4-chlorophenyl)sulfanylpropyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[3-(4-chlorophenyl)sulfanylpropyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[3-(4-chlorophenyl)sulfanylpropyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[3-[(4-chlorophenyl)thio]propyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[3-(4-chlorophenyl)sulfanylpropyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[3-[(4-chlorophenyl)thio]propyl]-4-methyl-piperazine-1,4-diium Formula: C14H23ClN2S+2 MolecularWeight: 286.86382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21ClN2S/c1-16-8-10-17(11-9-16)7-2-12-18-14-5-3-13(15)4-6-14/h3-6H,2,7-12H2,1H3/p+2