2-(4-tert-butylphenyl)-5-(2-morpholin-4-ium-4-ylethylamino)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-(4-tert-butylphenyl)-5-(2-morpholin-4-ium-4-ylethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-(4-tert-butylphenyl)-5-(2-morpholin-4-ium-4-ylethylamino)oxazole-4-carbonitrile CAS Name: 2-(4-tert-butylphenyl)-5-[2-(4-morpholin-4-iumyl)ethylamino]-4-oxazolecarbonitrile IUPAC Name: 2-(4-tert-butylphenyl)-5-(2-morpholin-4-ium-4-ylethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(4-tert-butylphenyl)-5-(2-morpholin-4-ium-4-ylethylamino)oxazole-4-carbonitrile Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=C(O2)NCC[NH+]3CCOCC3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=C(O2)NCC[NH+]3CCOCC3)C#N

InChI

InChI=1S/C20H26N4O2/c1-20(2,3)16-6-4-15(5-7-16)18-23-17(14-21)19(26-18)22-8-9-24-10-12-25-13-11-24/h4-7,22H,8-13H2,1-3H3/p+1