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

Systemtic Name: 2-[(3-chloranylphenoxy)methyl]-5-(4-ethylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[(3-chlorophenoxy)methyl]-5-(4-ethylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile CAS Name: 2-[(3-chlorophenoxy)methyl]-5-(4-ethyl-1-piperazin-4-iumyl)-4-oxazolecarbonitrile IUPAC Name: 2-[(3-chlorophenoxy)methyl]-5-(4-ethylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(3-chlorophenoxy)methyl]-5-(4-ethylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile Formula: C17H20ClN4O2+ MolecularWeight: 347.8193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4O2/c1-2-21-6-8-22(9-7-21)17-15(11-19)20-16(24-17)12-23-14-5-3-4-13(18)10-14/h3-5,10H,2,6-9,12H2,1H3/p+1