(4-chlorophenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione

Systemtic Name: (4-chlorophenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione Openeye Name: (4-chlorophenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione CAS Name: (4-chlorophenyl)-(4-methyl-1-piperazin-4-iumyl)methanethione IUPAC Name: (4-chlorophenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione Traditional Name: (4-chlorophenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione Formula: C12H16ClN2S+ MolecularWeight: 255.78684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN2S/c1-14-6-8-15(9-7-14)12(16)10-2-4-11(13)5-3-10/h2-5H,6-9H2,1H3/p+1