2-[(3-chloranylphenoxy)methyl]-5-(2-morpholin-4-ium-4-ylethylamino)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[(3-chloranylphenoxy)methyl]-5-(2-morpholin-4-ium-4-ylethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[(3-chlorophenoxy)methyl]-5-(2-morpholin-4-ium-4-ylethylamino)oxazole-4-carbonitrile CAS Name: 2-[(3-chlorophenoxy)methyl]-5-[2-(4-morpholin-4-iumyl)ethylamino]-4-oxazolecarbonitrile IUPAC Name: 2-[(3-chlorophenoxy)methyl]-5-(2-morpholin-4-ium-4-ylethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(3-chlorophenoxy)methyl]-5-(2-morpholin-4-ium-4-ylethylamino)oxazole-4-carbonitrile Formula: C17H20ClN4O3+ MolecularWeight: 363.8187

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC2=C(N=C(O2)COC3=CC(=CC=C3)Cl)C#N

Isomeric SMILES

C1COCC[NH+]1CCNC2=C(N=C(O2)COC3=CC(=CC=C3)Cl)C#N

InChI

InChI=1S/C17H19ClN4O3/c18-13-2-1-3-14(10-13)24-12-16-21-15(11-19)17(25-16)20-4-5-22-6-8-23-9-7-22/h1-3,10,20H,4-9,12H2/p+1