N-(3-chloranyl-2-methyl-phenyl)-4-ethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-ethyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-ethyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-4-ethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-ethylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-ethyl-piperazin-4-ium-1-carbothioamide Formula: C14H21ClN3S+ MolecularWeight: 298.85464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN3S/c1-3-17-7-9-18(10-8-17)14(19)16-13-6-4-5-12(15)11(13)2/h4-6H,3,7-10H2,1-2H3,(H,16,19)/p+1