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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-methyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-4-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-methylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-methyl-piperazin-4-ium-1-carbothioamide Formula: C13H19ClN3S+ MolecularWeight: 284.82806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CC[NH+](CC2)C

InChI

InChI=1S/C13H18ClN3S/c1-10-11(14)4-3-5-12(10)15-13(18)17-8-6-16(2)7-9-17/h3-5H,6-9H2,1-2H3,(H,15,18)/p+1