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

Systemtic Name: 2-[5-[(4-chloranylphenoxy)methyl]furan-2-yl]-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[5-[(4-chlorophenoxy)methyl]-2-furyl]-5-(4-methylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile CAS Name: 2-[5-[(4-chlorophenoxy)methyl]-2-furanyl]-5-(4-methyl-1-piperazin-4-iumyl)-4-oxazolecarbonitrile IUPAC Name: 2-[5-[(4-chlorophenoxy)methyl]furan-2-yl]-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[5-[(4-chlorophenoxy)methyl]-2-furyl]-5-(4-methylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile Formula: C20H20ClN4O3+ MolecularWeight: 399.8508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=C(O3)COC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=C(O3)COC4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C20H19ClN4O3/c1-24-8-10-25(11-9-24)20-17(12-22)23-19(28-20)18-7-6-16(27-18)13-26-15-4-2-14(21)3-5-15/h2-7H,8-11,13H2,1H3/p+1