N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamothioyl]furan-2-carboxamide

Systemtic Name: N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-yl)carbamothioyl]furan-2-carboxamide CAS Name: N-[[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-yl)carbamothioyl]furan-2-carboxamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-yl)thiocarbamoyl]-2-furamide Formula: C18H22N3O2S+ MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=S)NC(=O)C2=CC=CO2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=S)NC(=O)C2=CC=CO2)CC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O2S/c22-17(16-7-4-12-23-16)20-18(24)19-15-8-10-21(11-9-15)13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H2,19,20,22,24)/p+1