(3R)-1-[1,8-bis(azanyl)-4-cyano-6-methoxy-2,7-naphthyridin-7-ium-3-yl]piperidine-3-carboxylate

Systemtic Name: (3R)-1-[1,8-bis(azanyl)-4-cyano-6-methoxy-2,7-naphthyridin-7-ium-3-yl]piperidine-3-carboxylate Openeye Name: (3R)-1-(1,8-diamino-4-cyano-6-methoxy-2,7-naphthyridin-7-ium-3-yl)piperidine-3-carboxylate CAS Name: (3R)-1-(1,8-diamino-4-cyano-6-methoxy-2,7-naphthyridin-7-ium-3-yl)-3-piperidinecarboxylate IUPAC Name: (3R)-1-(1,8-diamino-4-cyano-6-methoxy-2,7-naphthyridin-7-ium-3-yl)piperidine-3-carboxylate Traditional Name: (3R)-1-(1,8-diamino-4-cyano-6-methoxy-2,7-naphthyridin-7-ium-3-yl)nipecotate Formula: C16H18N6O3 MolecularWeight: 342.35252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=[NH+]C(=C2C(=C1)C(=C(N=C2N)N3CCCC(C3)C(=O)[O-])C#N)N

Isomeric SMILES

COC1=[NH+]C(=C2C(=C1)C(=C(N=C2N)N3CCC[C@H](C3)C(=O)[O-])C#N)N

InChI

InChI=1S/C16H18N6O3/c1-25-11-5-9-10(6-17)15(21-14(19)12(9)13(18)20-11)22-4-2-3-8(7-22)16(23)24/h5,8H,2-4,7H2,1H3,(H2,18,20)(H2,19,21)(H,23,24)/t8-/m1/s1