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

Systemtic Name: 2-[(4-bromanylphenoxy)methyl]-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[(4-bromophenoxy)methyl]-5-(3-morpholin-4-ium-4-ylpropylamino)oxazole-4-carbonitrile CAS Name: 2-[(4-bromophenoxy)methyl]-5-[3-(4-morpholin-4-iumyl)propylamino]-4-oxazolecarbonitrile IUPAC Name: 2-[(4-bromophenoxy)methyl]-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(4-bromophenoxy)methyl]-5-(3-morpholin-4-ium-4-ylpropylamino)oxazole-4-carbonitrile Formula: C18H22BrN4O3+ MolecularWeight: 422.29628

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=C(N=C(O2)COC3=CC=C(C=C3)Br)C#N

Isomeric SMILES

C1COCC[NH+]1CCCNC2=C(N=C(O2)COC3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C18H21BrN4O3/c19-14-2-4-15(5-3-14)25-13-17-22-16(12-20)18(26-17)21-6-1-7-23-8-10-24-11-9-23/h2-5,21H,1,6-11,13H2/p+1