3-phenyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-imidazole-4-carboxamide

Systemtic Name: 3-phenyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-imidazole-4-carboxamide Openeye Name: 3-phenyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-thioxo-1H-imidazole-4-carboxamide CAS Name: 3-phenyl-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2-sulfanylidene-1H-imidazole-4-carboxamide IUPAC Name: 3-phenyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-imidazole-4-carboxamide Traditional Name: 3-phenyl-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]-2-thioxo-4-imidazoline-4-carboxamide Formula: C23H27N4OS+ MolecularWeight: 407.55168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=CNC(=S)N3C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=CNC(=S)N3C4=CC=CC=C4

InChI

InChI=1S/C23H26N4OS/c28-22(21-16-25-23(29)27(21)20-11-3-1-4-12-20)24-15-18-9-5-6-10-19(18)17-26-13-7-2-8-14-26/h1,3-6,9-12,16H,2,7-8,13-15,17H2,(H,24,28)(H,25,29)/p+1