2-[(1S,2Z)-2-[bis(azanyl)methylideneazaniumylimino]cyclohexyl]pyridine-4-carboxylate

Systemtic Name: 2-[(1S,2Z)-2-[bis(azanyl)methylideneazaniumylimino]cyclohexyl]pyridine-4-carboxylate Openeye Name: 2-[(1S,2Z)-2-(diaminomethyleneammonioimino)cyclohexyl]pyridine-4-carboxylate CAS Name: 2-[(1S,2Z)-2-(diaminomethylideneammonioimino)cyclohexyl]-4-pyridinecarboxylate IUPAC Name: 2-[(1S,2Z)-2-(diaminomethylideneazaniumylimino)cyclohexyl]pyridine-4-carboxylate Traditional Name: 2-[(1S,2Z)-2-(diaminomethyleneammonioimino)cyclohexyl]isonicotinate Formula: C13H17N5O2 MolecularWeight: 275.30638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=N[NH+]=C(N)N)C(C1)C2=NC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C1CC/C(=N/[NH+]=C(N)N)/[C@@H](C1)C2=NC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C13H17N5O2/c14-13(15)18-17-10-4-2-1-3-9(10)11-7-8(12(19)20)5-6-16-11/h5-7,9H,1-4H2,(H,19,20)(H4,14,15,18)/b17-10-/t9-/m1/s1