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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-furylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-furanylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(2-furfuryl)-4-piperonyl-piperazin-4-ium-1-carbothioamide Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=S)NCC4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=S)NCC4=CC=CO4

InChI

InChI=1S/C18H21N3O3S/c25-18(19-11-15-2-1-9-22-15)21-7-5-20(6-8-21)12-14-3-4-16-17(10-14)24-13-23-16/h1-4,9-10H,5-8,11-13H2,(H,19,25)/p+1