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

Systemtic Name: 2-[(4-bromanylphenoxy)methyl]-5-(4-ethylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[(4-bromophenoxy)methyl]-5-(4-ethylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile CAS Name: 2-[(4-bromophenoxy)methyl]-5-(4-ethyl-1-piperazin-4-iumyl)-4-oxazolecarbonitrile IUPAC Name: 2-[(4-bromophenoxy)methyl]-5-(4-ethylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(4-bromophenoxy)methyl]-5-(4-ethylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile Formula: C17H20BrN4O2+ MolecularWeight: 392.2703

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(N=C(O2)COC3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(N=C(O2)COC3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C17H19BrN4O2/c1-2-21-7-9-22(10-8-21)17-15(11-19)20-16(24-17)12-23-14-5-3-13(18)4-6-14/h3-6H,2,7-10,12H2,1H3/p+1