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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-pyridylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(pyridin-4-ylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-piperonyl-4-(4-pyridylmethyl)piperazin-4-ium-1-carbothioamide Formula: C19H23N4O2S+ MolecularWeight: 371.47652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O2S/c26-19(21-12-16-1-2-17-18(11-16)25-14-24-17)23-9-7-22(8-10-23)13-15-3-5-20-6-4-15/h1-6,11H,7-10,12-14H2,(H,21,26)/p+1