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

Systemtic Name: 2-[(4-bromanylphenoxy)methyl]-5-(2-morpholin-4-ium-4-ylethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[(4-bromophenoxy)methyl]-5-(2-morpholin-4-ium-4-ylethylamino)oxazole-4-carbonitrile CAS Name: 2-[(4-bromophenoxy)methyl]-5-[2-(4-morpholin-4-iumyl)ethylamino]-4-oxazolecarbonitrile IUPAC Name: 2-[(4-bromophenoxy)methyl]-5-(2-morpholin-4-ium-4-ylethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(4-bromophenoxy)methyl]-5-(2-morpholin-4-ium-4-ylethylamino)oxazole-4-carbonitrile Formula: C17H20BrN4O3+ MolecularWeight: 408.2697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN4O3/c18-13-1-3-14(4-2-13)24-12-16-21-15(11-19)17(25-16)20-5-6-22-7-9-23-10-8-22/h1-4,20H,5-10,12H2/p+1