4-(1,3-benzodioxol-5-ylmethyl)-N-(4-bromophenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-bromophenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-bromophenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-bromophenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-bromophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-bromophenyl)-4-piperonyl-piperazin-4-ium-1-carbothioamide Formula: C19H21BrN3O2S+ MolecularWeight: 435.35794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C19H20BrN3O2S/c20-15-2-4-16(5-3-15)21-19(26)23-9-7-22(8-10-23)12-14-1-6-17-18(11-14)25-13-24-17/h1-6,11H,7-10,12-13H2,(H,21,26)/p+1