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

Systemtic Name: 2-[(4-chloranylphenoxy)methyl]-5-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 2-[(4-chlorophenoxy)methyl]-5-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]oxazole-4-carbonitrile CAS Name: 2-[(4-chlorophenoxy)methyl]-5-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]-4-oxazolecarbonitrile IUPAC Name: 2-[(4-chlorophenoxy)methyl]-5-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(4-chlorophenoxy)methyl]-5-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]oxazole-4-carbonitrile Formula: C22H23ClN5O2+ MolecularWeight: 424.90332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=N2)C3=C(N=C(O3)COC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=N2)C3=C(N=C(O3)COC4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C22H22ClN5O2/c23-17-4-6-19(7-5-17)29-16-21-26-20(15-24)22(30-21)28-13-11-27(12-14-28)10-8-18-3-1-2-9-25-18/h1-7,9H,8,10-14,16H2/p+1