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

Systemtic Name: 3-phenyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-imidazole-4-carboxamide Openeye Name: 3-phenyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-thioxo-1H-imidazole-4-carboxamide CAS Name: 3-phenyl-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-sulfanylidene-1H-imidazole-4-carboxamide IUPAC Name: 3-phenyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-imidazole-4-carboxamide Traditional Name: 3-phenyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-2-thioxo-4-imidazoline-4-carboxamide Formula: C22H25N4OS+ MolecularWeight: 393.5251

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CNC(=S)N3C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CNC(=S)N3C4=CC=CC=C4

InChI

InChI=1S/C22H24N4OS/c27-21(20-15-24-22(28)26(20)19-6-2-1-3-7-19)23-14-17-8-10-18(11-9-17)16-25-12-4-5-13-25/h1-3,6-11,15H,4-5,12-14,16H2,(H,23,27)(H,24,28)/p+1