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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-benzyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-benzylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-piperonyl-piperazin-4-ium-1-carbothioamide Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N3O2S/c26-20(21-13-17-6-7-18-19(12-17)25-15-24-18)23-10-8-22(9-11-23)14-16-4-2-1-3-5-16/h1-7,12H,8-11,13-15H2,(H,21,26)/p+1