4-(2-methyl-1-oxidanyl-propan-2-yl)-N-phenyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(2-methyl-1-oxidanyl-propan-2-yl)-N-phenyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-(2-hydroxy-1,1-dimethyl-ethyl)-N-phenyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-(1-hydroxy-2-methylpropan-2-yl)-N-phenyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1-hydroxy-2-methylpropan-2-yl)-N-phenylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-hydroxy-1,1-dimethyl-ethyl)-N-phenyl-piperazin-4-ium-1-carbothioamide Formula: C15H24N3OS+ MolecularWeight: 294.43556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3OS/c1-15(2,12-19)18-10-8-17(9-11-18)14(20)16-13-6-4-3-5-7-13/h3-7,19H,8-12H2,1-2H3,(H,16,20)/p+1