4-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-hydroxyethyl)-N-p-anisyl-piperazin-4-ium-1-carbothioamide Formula: C15H24N3O2S+ MolecularWeight: 310.43496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)N2CC[NH+](CC2)CCO

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)N2CC[NH+](CC2)CCO

InChI

InChI=1S/C15H23N3O2S/c1-20-14-4-2-13(3-5-14)12-16-15(21)18-8-6-17(7-9-18)10-11-19/h2-5,19H,6-12H2,1H3,(H,16,21)/p+1