2-methyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]propanamide

Systemtic Name: 2-methyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]propanamide Openeye Name: 2-methyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]propanamide CAS Name: 2-methyl-N-[[4-(1-piperidin-1-iumylmethyl)anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 2-methyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]propanamide Traditional Name: 2-methyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]thiocarbamoyl]propionamide Formula: C17H26N3OS+ MolecularWeight: 320.47284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=S)NC1=CC=C(C=C1)C[NH+]2CCCCC2

Isomeric SMILES

CC(C)C(=O)NC(=S)NC1=CC=C(C=C1)C[NH+]2CCCCC2

InChI

InChI=1S/C17H25N3OS/c1-13(2)16(21)19-17(22)18-15-8-6-14(7-9-15)12-20-10-4-3-5-11-20/h6-9,13H,3-5,10-12H2,1-2H3,(H2,18,19,21,22)/p+1