N-(3,5-dimethylphenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3,5-dimethylphenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3,5-dimethylphenyl)-4-(2-hydroxyethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3,5-dimethylphenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3,5-dimethylphenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Formula: C15H24N3OS+ MolecularWeight: 294.43556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N2CC[NH+](CC2)CCO)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CC[NH+](CC2)CCO)C

InChI

InChI=1S/C15H23N3OS/c1-12-9-13(2)11-14(10-12)16-15(20)18-5-3-17(4-6-18)7-8-19/h9-11,19H,3-8H2,1-2H3,(H,16,20)/p+1