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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-4-(2-hydroxyethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Formula: C14H21ClN3OS+ MolecularWeight: 314.85404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN3OS/c1-11-12(15)3-2-4-13(11)16-14(20)18-7-5-17(6-8-18)9-10-19/h2-4,19H,5-10H2,1H3,(H,16,20)/p+1