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

Systemtic Name: 4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]methyl]-2-(2-ethoxyphenyl)-5-methyl-1,3-oxazole Openeye Name: 4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]methyl]-2-(2-ethoxyphenyl)-5-methyl-oxazole CAS Name: 4-[[(2S)-2-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]methyl]-2-(2-ethoxyphenyl)-5-methyloxazole IUPAC Name: 4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]methyl]-2-(2-ethoxyphenyl)-5-methyl-1,3-oxazole Traditional Name: 4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-2-o-phenetyl-oxazole Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC(=C(O2)C)C[NH+]3CCCCC3C4=NC5=CC=CC=C5N4

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC(=C(O2)C)C[NH+]3CCCC[C@H]3C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H28N4O2/c1-3-30-23-14-7-4-10-18(23)25-28-21(17(2)31-25)16-29-15-9-8-13-22(29)24-26-19-11-5-6-12-20(19)27-24/h4-7,10-12,14,22H,3,8-9,13,15-16H2,1-2H3,(H,26,27)/p+1/t22-/m0/s1