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

Systemtic Name: 5-(2-morpholin-4-ium-4-ylethylamino)-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-benzyl-5-(2-morpholin-4-ium-4-ylethylamino)oxazole-4-carbonitrile CAS Name: 5-[2-(4-morpholin-4-iumyl)ethylamino]-2-(phenylmethyl)-4-oxazolecarbonitrile IUPAC Name: 2-benzyl-5-(2-morpholin-4-ium-4-ylethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-benzyl-5-(2-morpholin-4-ium-4-ylethylamino)oxazole-4-carbonitrile Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC2=C(N=C(O2)CC3=CC=CC=C3)C#N

Isomeric SMILES

C1COCC[NH+]1CCNC2=C(N=C(O2)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C17H20N4O2/c18-13-15-17(19-6-7-21-8-10-22-11-9-21)23-16(20-15)12-14-4-2-1-3-5-14/h1-5,19H,6-12H2/p+1