2-phenoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-phenoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-phenoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]acetamide CAS Name: 2-phenoxy-N-[[4-(1-piperidin-1-iumylmethyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-phenoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]acetamide Traditional Name: 2-phenoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]thiocarbamoyl]acetamide Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c25-20(16-26-19-7-3-1-4-8-19)23-21(27)22-18-11-9-17(10-12-18)15-24-13-5-2-6-14-24/h1,3-4,7-12H,2,5-6,13-16H2,(H2,22,23,25,27)/p+1