N-(1,3-benzodioxol-5-yl)-4-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(2-furylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(2-furanylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(2-furfuryl)piperazin-4-ium-1-carbothioamide Formula: C17H20N3O3S+ MolecularWeight: 346.424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H19N3O3S/c24-17(18-13-3-4-15-16(10-13)23-12-22-15)20-7-5-19(6-8-20)11-14-2-1-9-21-14/h1-4,9-10H,5-8,11-12H2,(H,18,24)/p+1