2-azanyl-6-methoxy-4-piperidin-4-yl-pyridine-3,5-dicarbonitrile dihydrate hydrochloride

Systemtic Name: 2-azanyl-6-methoxy-4-piperidin-4-yl-pyridine-3,5-dicarbonitrile dihydrate hydrochloride Openeye Name: 2-amino-6-methoxy-4-(4-piperidyl)pyridine-3,5-dicarbonitrile dihydrate hydrochloride CAS Name: 2-amino-6-methoxy-4-(4-piperidinyl)pyridine-3,5-dicarbonitrile dihydrate hydrochloride IUPAC Name: 2-amino-6-methoxy-4-piperidin-4-ylpyridine-3,5-dicarbonitrile dihydrate hydrochloride Traditional Name: 2-amino-6-methoxy-4-(4-piperidyl)dinicotinonitrile dihydrate hydrochloride Formula: C13H20ClN5O3 MolecularWeight: 329.7826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=N1)N)C#N)C2CCNCC2)C#N.O.O.Cl

Isomeric SMILES

COC1=C(C(=C(C(=N1)N)C#N)C2CCNCC2)C#N.O.O.Cl

InChI

InChI=1S/C13H15N5O.ClH.2H2O/c1-19-13-10(7-15)11(8-2-4-17-5-3-8)9(6-14)12(16)18-13;;;/h8,17H,2-5H2,1H3,(H2,16,18);1H;2*1H2