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

Systemtic Name: 4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole Openeye Name: 4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-2-(o-tolyl)oxazole CAS Name: 4-[[(2S)-2-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]methyl]-5-methyl-2-(2-methylphenyl)oxazole IUPAC Name: 4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole Traditional Name: 4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-2-(o-tolyl)oxazole Formula: C24H27N4O+ MolecularWeight: 387.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=C(O2)C)C[NH+]3CCCCC3C4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=C(O2)C)C[NH+]3CCCC[C@H]3C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C24H26N4O/c1-16-9-3-4-10-18(16)24-27-21(17(2)29-24)15-28-14-8-7-13-22(28)23-25-19-11-5-6-12-20(19)26-23/h3-6,9-12,22H,7-8,13-15H2,1-2H3,(H,25,26)/p+1/t22-/m0/s1