1-cyano-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(1-oxidanidylpyridin-1-ium-3-yl)guanidine

Systemtic Name: 1-cyano-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(1-oxidanidylpyridin-1-ium-3-yl)guanidine Openeye Name: 1-cyano-2-(3-methoxy-4-oxazol-5-yl-phenyl)-3-(1-oxidopyridin-1-ium-3-yl)guanidine CAS Name: 1-cyano-2-[3-methoxy-4-(5-oxazolyl)phenyl]-3-(1-oxido-3-pyridin-1-iumyl)guanidine IUPAC Name: 1-cyano-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(1-oxidopyridin-1-ium-3-yl)guanidine Traditional Name: 1-cyano-2-(3-methoxy-4-oxazol-5-yl-phenyl)-3-(1-oxidopyridin-1-ium-3-yl)guanidine Formula: C17H14N6O3 MolecularWeight: 350.33146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N=C(NC#N)NC2=C[N+](=CC=C2)[O-])C3=CN=CO3

Isomeric SMILES

COC1=C(C=CC(=C1)N=C(NC#N)NC2=C[N+](=CC=C2)[O-])C3=CN=CO3

InChI

InChI=1S/C17H14N6O3/c1-25-15-7-12(4-5-14(15)16-8-19-11-26-16)21-17(20-10-18)22-13-3-2-6-23(24)9-13/h2-9,11H,1H3,(H2,20,21,22)