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

Systemtic Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(4,5-dimethyl-2-furyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(4,5-dimethyl-2-furanyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(4,5-dimethyl-2-furyl)methyl]piperidin-1-ium-4-carboxamide Formula: C26H29N4O2+ MolecularWeight: 429.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4)C

Isomeric SMILES

CC1=C(OC(=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4)C

InChI

InChI=1S/C26H28N4O2/c1-17-15-22(32-18(17)2)16-30-13-11-20(12-14-30)26(31)27-21-9-7-19(8-10-21)25-28-23-5-3-4-6-24(23)29-25/h3-10,15,20H,11-14,16H2,1-2H3,(H,27,31)(H,28,29)/p+1