(2S)-N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-phenyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-phenyl-piperazin-4-ium-1-carbothioamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-phenyl-piperazin-4-ium-1-carbothioamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-phenyl-1-piperazin-4-iumcarbothioamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-phenylpiperazin-4-ium-1-carbothioamide Traditional Name: (2S)-4-methyl-2-phenyl-N-piperonyl-piperazin-4-ium-1-carbothioamide Formula: C20H24N3O2S+ MolecularWeight: 370.48846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N3O2S/c1-22-9-10-23(17(13-22)16-5-3-2-4-6-16)20(26)21-12-15-7-8-18-19(11-15)25-14-24-18/h2-8,11,17H,9-10,12-14H2,1H3,(H,21,26)/p+1/t17-/m1/s1