4-(2-hydroxyethyl)-N-phenethyl-piperazin-4-ium-1-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=S)NCCC2=CC=CC=C2

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C15H23N3OS/c19-13-12-17-8-10-18(11-9-17)15(20)16-7-6-14-4-2-1-3-5-14/h1-5,19H,6-13H2,(H,16,20)/p+1