N-(5-chloranyl-2-methoxy-phenyl)-4-propyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-propyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-propyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-propyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-propylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-propyl-piperazin-4-ium-1-carbothioamide Formula: C15H23ClN3OS+ MolecularWeight: 328.88062

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=S)NC2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=S)NC2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C15H22ClN3OS/c1-3-6-18-7-9-19(10-8-18)15(21)17-13-11-12(16)4-5-14(13)20-2/h4-5,11H,3,6-10H2,1-2H3,(H,17,21)/p+1