1-(furan-2-ylmethylcarbamothioyl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-(furan-2-ylmethylcarbamothioyl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-(2-furylmethylcarbamothioyl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[(2-furanylmethylamino)-sulfanylidenemethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(furan-2-ylmethylcarbamothioyl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-(2-furfurylthiocarbamoyl)-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C17H27N4O2S+ MolecularWeight: 351.48688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C(=S)NCC3=CC=CO3)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=S)NCC3=CC=CO3)C(=O)N

InChI

InChI=1S/C17H26N4O2S/c18-15(22)17(21-8-2-1-3-9-21)6-10-20(11-7-17)16(24)19-13-14-5-4-12-23-14/h4-5,12H,1-3,6-11,13H2,(H2,18,22)(H,19,24)/p+1