2-(4-methoxy-3-methyl-phenyl)-5-methyl-4-[[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-oxazole

Systemtic Name: 2-(4-methoxy-3-methyl-phenyl)-5-methyl-4-[[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 2-(4-methoxy-3-methyl-phenyl)-5-methyl-4-[[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-ium-1-yl]methyl]oxazole CAS Name: 2-(4-methoxy-3-methylphenyl)-5-methyl-4-[[(2S)-2-(1-methyl-2-imidazolyl)-1-piperidin-1-iumyl]methyl]oxazole IUPAC Name: 2-(4-methoxy-3-methylphenyl)-5-methyl-4-[[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 2-(4-methoxy-3-methyl-phenyl)-5-methyl-4-[[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-ium-1-yl]methyl]oxazole Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC(=C(O2)C)C[NH+]3CCCCC3C4=NC=CN4C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC(=C(O2)C)C[NH+]3CCCC[C@H]3C4=NC=CN4C)OC

InChI

InChI=1S/C22H28N4O2/c1-15-13-17(8-9-20(15)27-4)22-24-18(16(2)28-22)14-26-11-6-5-7-19(26)21-23-10-12-25(21)3/h8-10,12-13,19H,5-7,11,14H2,1-4H3/p+1/t19-/m0/s1