[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]azanium; pyridine-3-carboxylate

Systemtic Name: [(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]azanium; pyridine-3-carboxylate Openeye Name: [(1S)-1-carboxy-4-guanidino-butyl]ammonium; pyridine-3-carboxylate CAS Name: [(2S)-5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]ammonium; 3-pyridinecarboxylate IUPAC Name: [(2S)-5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]azanium; pyridine-3-carboxylate Traditional Name: [(1S)-1-carboxy-4-guanidino-butyl]ammonium; nicotinate Formula: C12H19N5O4 MolecularWeight: 297.31036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)[O-].C(CC(C(=O)O)[NH3+])CN=C(N)N

Isomeric SMILES

C1=CC(=CN=C1)C(=O)[O-].C(C[C@@H](C(=O)O)[NH3+])CN=C(N)N

InChI

InChI=1S/C6H14N4O2.C6H5NO2/c7-4(5(11)12)2-1-3-10-6(8)9;8-6(9)5-2-1-3-7-4-5/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-4H,(H,8,9)/t4-;/m0./s1