3-(4-chlorophenyl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-(4-chlorophenyl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[(4-chlorophenyl)thio]-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-(4-chlorophenyl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[(4-chlorophenyl)thio]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C14H20ClN2OS+ MolecularWeight: 299.8394

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H19ClN2OS/c1-16-7-9-17(10-8-16)14(18)6-11-19-13-4-2-12(15)3-5-13/h2-5H,6-11H2,1H3/p+1