5-piperazin-4-ium-1-yl-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-piperazin-4-ium-1-yl-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile Openeye Name: 5-piperazin-4-ium-1-yl-2-(3-pyridyl)oxazole-4-carbonitrile CAS Name: 5-(1-piperazin-4-iumyl)-2-(3-pyridinyl)-4-oxazolecarbonitrile IUPAC Name: 5-piperazin-4-ium-1-yl-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile Traditional Name: 5-piperazin-4-ium-1-yl-2-(3-pyridyl)oxazole-4-carbonitrile Formula: C13H14N5O+ MolecularWeight: 256.28316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C(N=C(O2)C3=CN=CC=C3)C#N

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C(N=C(O2)C3=CN=CC=C3)C#N

InChI

InChI=1S/C13H13N5O/c14-8-11-13(18-6-4-15-5-7-18)19-12(17-11)10-2-1-3-16-9-10/h1-3,9,15H,4-7H2/p+1