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

Systemtic Name: 2-[[1,8-bis(azanyl)-5-cyano-6-piperidin-1-yl-2,7-naphthyridine-2,7-diium-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[1,8-diamino-5-cyano-6-(1-piperidyl)-2,7-naphthyridine-2,7-diium-3-yl]sulfanyl]acetate CAS Name: 2-[[1,8-diamino-5-cyano-6-(1-piperidinyl)-2,7-naphthyridine-2,7-diium-3-yl]thio]acetate IUPAC Name: 2-[(1,8-diamino-5-cyano-6-piperidin-1-yl-2,7-naphthyridine-2,7-diium-3-yl)sulfanyl]acetate Traditional Name: 2-[(1,8-diamino-5-cyano-6-piperidino-2,7-naphthyridine-2,7-diium-3-yl)thio]acetate Formula: C16H19N6O2S+ MolecularWeight: 359.42606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C3=CC(=[NH+]C(=C3C(=[NH+]2)N)N)SCC(=O)[O-])C#N

Isomeric SMILES

C1CCN(CC1)C2=C(C3=CC(=[NH+]C(=C3C(=[NH+]2)N)N)SCC(=O)[O-])C#N

InChI

InChI=1S/C16H18N6O2S/c17-7-10-9-6-11(25-8-12(23)24)20-14(18)13(9)15(19)21-16(10)22-4-2-1-3-5-22/h6H,1-5,8H2,(H2,18,20)(H2,19,21)(H,23,24)/p+1