N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[[5-(hydroxymethyl)-2-furyl]methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[[5-(hydroxymethyl)-2-furanyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-methylol-2-furyl)methyl]piperidin-1-ium-4-carboxamide Formula: C25H27N4O3+ MolecularWeight: 431.50688

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)CC5=CC=C(O5)CO

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)CC5=CC=C(O5)CO

InChI

InChI=1S/C25H26N4O3/c30-16-21-10-9-20(32-21)15-29-13-11-18(12-14-29)25(31)26-19-7-5-17(6-8-19)24-27-22-3-1-2-4-23(22)28-24/h1-10,18,30H,11-16H2,(H,26,31)(H,27,28)/p+1