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

Systemtic Name: 2-(furan-2-yl)-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 2-(2-furyl)-5-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-yl]oxazole-4-carbonitrile CAS Name: 2-(2-furanyl)-5-[4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-4-iumyl]-4-oxazolecarbonitrile IUPAC Name: 2-(furan-2-yl)-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]-1,3-oxazole-4-carbonitrile Traditional Name: 2-(2-furyl)-5-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-yl]oxazole-4-carbonitrile Formula: C17H18N5O3+ MolecularWeight: 340.35652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)C3=C(N=C(O3)C4=CC=CO4)C#N

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)C3=C(N=C(O3)C4=CC=CO4)C#N

InChI

InChI=1S/C17H17N5O3/c1-12-9-13(20-25-12)11-21-4-6-22(7-5-21)17-14(10-18)19-16(24-17)15-3-2-8-23-15/h2-3,8-9H,4-7,11H2,1H3/p+1