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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=C(O2)NCC[NH+]3CCOCC3)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=C(O2)NCC[NH+]3CCOCC3)C#N

InChI

InChI=1S/C17H20N4O2/c1-13-3-2-4-14(11-13)16-20-15(12-18)17(23-16)19-5-6-21-7-9-22-10-8-21/h2-4,11,19H,5-10H2,1H3/p+1