4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazole

Systemtic Name: 4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazole Openeye Name: 4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-2-(5-methyl-2-furyl)oxazole CAS Name: 4-[[(2S)-2-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]methyl]-5-methyl-2-(5-methyl-2-furanyl)oxazole IUPAC Name: 4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazole Traditional Name: 4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-2-(5-methyl-2-furyl)oxazole Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC(=C(O2)C)C[NH+]3CCCCC3C4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=CC=C(O1)C2=NC(=C(O2)C)C[NH+]3CCCC[C@H]3C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H24N4O2/c1-14-10-11-20(27-14)22-25-18(15(2)28-22)13-26-12-6-5-9-19(26)21-23-16-7-3-4-8-17(16)24-21/h3-4,7-8,10-11,19H,5-6,9,12-13H2,1-2H3,(H,23,24)/p+1/t19-/m0/s1