2-[[1,8-bis(azanyl)-5-cyano-6-morpholin-4-yl-2,7-naphthyridine-2,7-diium-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[1,8-bis(azanyl)-5-cyano-6-morpholin-4-yl-2,7-naphthyridine-2,7-diium-3-yl]sulfanyl]ethanoate Openeye Name: 2-[(1,8-diamino-5-cyano-6-morpholino-2,7-naphthyridine-2,7-diium-3-yl)sulfanyl]acetate CAS Name: 2-[[1,8-diamino-5-cyano-6-(4-morpholinyl)-2,7-naphthyridine-2,7-diium-3-yl]thio]acetate IUPAC Name: 2-[(1,8-diamino-5-cyano-6-morpholin-4-yl-2,7-naphthyridine-2,7-diium-3-yl)sulfanyl]acetate Traditional Name: 2-[(1,8-diamino-5-cyano-6-morpholino-2,7-naphthyridine-2,7-diium-3-yl)thio]acetate Formula: C15H17N6O3S+ MolecularWeight: 361.39888

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C3=CC(=[NH+]C(=C3C(=[NH+]2)N)N)SCC(=O)[O-])C#N

Isomeric SMILES

C1COCCN1C2=C(C3=CC(=[NH+]C(=C3C(=[NH+]2)N)N)SCC(=O)[O-])C#N

InChI

InChI=1S/C15H16N6O3S/c16-6-9-8-5-10(25-7-11(22)23)19-13(17)12(8)14(18)20-15(9)21-1-3-24-4-2-21/h5H,1-4,7H2,(H2,17,19)(H2,18,20)(H,22,23)/p+1