2-(4-tert-butylphenyl)-5-(pyridin-1-ium-4-ylmethylamino)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-(4-tert-butylphenyl)-5-(pyridin-1-ium-4-ylmethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-(4-tert-butylphenyl)-5-(pyridin-1-ium-4-ylmethylamino)oxazole-4-carbonitrile CAS Name: 2-(4-tert-butylphenyl)-5-(4-pyridin-1-iumylmethylamino)-4-oxazolecarbonitrile IUPAC Name: 2-(4-tert-butylphenyl)-5-(pyridin-1-ium-4-ylmethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(4-tert-butylphenyl)-5-(pyridin-1-ium-4-ylmethylamino)oxazole-4-carbonitrile Formula: C20H21N4O+ MolecularWeight: 333.40694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=C(O2)NCC3=CC=[NH+]C=C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=C(O2)NCC3=CC=[NH+]C=C3)C#N

InChI

InChI=1S/C20H20N4O/c1-20(2,3)16-6-4-15(5-7-16)18-24-17(12-21)19(25-18)23-13-14-8-10-22-11-9-14/h4-11,23H,13H2,1-3H3/p+1