2-(3-chlorophenyl)-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-(3-chlorophenyl)-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-(3-chlorophenyl)-5-(3-morpholin-4-ium-4-ylpropylamino)oxazole-4-carbonitrile CAS Name: 2-(3-chlorophenyl)-5-[3-(4-morpholin-4-iumyl)propylamino]-4-oxazolecarbonitrile IUPAC Name: 2-(3-chlorophenyl)-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(3-chlorophenyl)-5-(3-morpholin-4-ium-4-ylpropylamino)oxazole-4-carbonitrile Formula: C17H20ClN4O2+ MolecularWeight: 347.8193

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=C(N=C(O2)C3=CC(=CC=C3)Cl)C#N

Isomeric SMILES

C1COCC[NH+]1CCCNC2=C(N=C(O2)C3=CC(=CC=C3)Cl)C#N

InChI

InChI=1S/C17H19ClN4O2/c18-14-4-1-3-13(11-14)16-21-15(12-19)17(24-16)20-5-2-6-22-7-9-23-10-8-22/h1,3-4,11,20H,2,5-10H2/p+1