N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: N-[[4-(1-piperidin-1-iumylmethyl)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]thiocarbamoyl]-2-furamide Formula: C18H22N3O2S+ MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CO3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CO3

InChI

InChI=1S/C18H21N3O2S/c22-17(16-5-4-12-23-16)20-18(24)19-15-8-6-14(7-9-15)13-21-10-2-1-3-11-21/h4-9,12H,1-3,10-11,13H2,(H2,19,20,22,24)/p+1