3-[1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]sulfanyl-4-methyl-piperazin-1-ium-1-yl]propanal

Systemtic Name: 3-[1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]sulfanyl-4-methyl-piperazin-1-ium-1-yl]propanal Openeye Name: 3-[1-(3,5-dichloro-4-hydroxy-phenyl)sulfanyl-4-methyl-piperazin-1-ium-1-yl]propanal CAS Name: 3-[1-[(3,5-dichloro-4-hydroxyphenyl)thio]-4-methyl-1-piperazin-1-iumyl]propanal IUPAC Name: 3-[1-(3,5-dichloro-4-hydroxyphenyl)sulfanyl-4-methylpiperazin-1-ium-1-yl]propanal Traditional Name: 3-[1-[(3,5-dichloro-4-hydroxy-phenyl)thio]-4-methyl-piperazin-1-ium-1-yl]propionaldehyde Formula: C14H19Cl2N2O2S+ MolecularWeight: 350.28386

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[N+](CC1)(CCC=O)SC2=CC(=C(C(=C2)Cl)O)Cl

Isomeric SMILES

CN1CC[N+](CC1)(CCC=O)SC2=CC(=C(C(=C2)Cl)O)Cl

InChI

InChI=1S/C14H18Cl2N2O2S/c1-17-3-6-18(7-4-17,5-2-8-19)21-11-9-12(15)14(20)13(16)10-11/h8-10H,2-7H2,1H3/p+1