(3R)-3-(2-hydroxyethyl)-N-phenyl-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: (3R)-3-(2-hydroxyethyl)-N-phenyl-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: (3R)-3-(2-hydroxyethyl)-N-phenyl-4-(4-pyridylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: (3R)-3-(2-hydroxyethyl)-N-phenyl-4-(pyridin-4-ylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: (3R)-3-(2-hydroxyethyl)-N-phenyl-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: (3R)-3-(2-hydroxyethyl)-N-phenyl-4-(4-pyridylmethyl)piperazin-4-ium-1-carbothioamide Formula: C19H25N4OS+ MolecularWeight: 357.493

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CC2=CC=NC=C2)CCO)C(=S)NC3=CC=CC=C3

Isomeric SMILES

C1CN(C[C@H]([NH+]1CC2=CC=NC=C2)CCO)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C19H24N4OS/c24-13-8-18-15-23(19(25)21-17-4-2-1-3-5-17)12-11-22(18)14-16-6-9-20-10-7-16/h1-7,9-10,18,24H,8,11-15H2,(H,21,25)/p+1/t18-/m1/s1