ethyl 6-cyano-3-piperidin-1-id-2-yl-2-piperidin-2-yl-3,5-dihydro-2H-pyrazin-4-ide-5-carboximidate; ethyl 3-cyano-6-piperidin-1-id-2-yl-5-piperidin-2-yl-piperazin-1-ide-2-carboximidate; iron(6+)

Systemtic Name: ethyl 6-cyano-3-piperidin-1-id-2-yl-2-piperidin-2-yl-3,5-dihydro-2H-pyrazin-4-ide-5-carboximidate; ethyl 3-cyano-6-piperidin-1-id-2-yl-5-piperidin-2-yl-piperazin-1-ide-2-carboximidate; iron(6+) Openeye Name: ethyl 6-cyano-3-piperidin-1-id-2-yl-2-(2-piperidyl)-3,5-dihydro-2H-pyrazin-4-ide-5-carboximidate; ethyl 3-cyano-6-piperidin-1-id-2-yl-5-(2-piperidyl)piperazin-1-ide-2-carboximidate; iron(6+) CAS Name: 6-cyano-3-(2-piperidin-1-idyl)-2-(2-piperidinyl)-3,5-dihydro-2H-pyrazin-4-ide-5-carboximidic acid ethyl ester; 3-cyano-6-(2-piperidin-1-idyl)-5-(2-piperidinyl)-2-piperazin-1-idecarboximidic acid ethyl ester; iron(6+) IUPAC Name: ethyl 6-cyano-3-piperidin-1-id-2-yl-2-piperidin-2-yl-3,5-dihydro-2H-pyrazin-4-ide-5-carboximidate; ethyl 3-cyano-6-piperidin-1-id-2-yl-5-piperidin-2-ylpiperazin-1-ide-2-carboximidate; iron(6+) Traditional Name: 6-cyano-3-piperidin-1-id-2-yl-2-(2-piperidyl)-3,5-dihydro-2H-pyrazin-4-ide-5-carboximidic acid ethyl ester; 3-cyano-6-piperidin-1-id-2-yl-5-(2-piperidyl)piperazin-1-ide-2-carboximidic acid ethyl ester; iron(6+) Formula: C36H58FeN12O2+2 MolecularWeight: 746.76992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=N)C1C(NC(C([N-]1)C2CCCC[N-]2)C3CCCCN3)C#N.CCOC(=N)C1C(=NC(C([N-]1)C2CCCC[N-]2)C3CCCCN3)C#N.[Fe+6]

Isomeric SMILES

CCOC(=N)C1C(NC(C([N-]1)C2CCCC[N-]2)C3CCCCN3)C#N.CCOC(=N)C1C(=NC(C([N-]1)C2CCCC[N-]2)C3CCCCN3)C#N.[Fe+6]

InChI

InChI=1S/C18H30N6O.C18H28N6O.Fe/c2*1-2-25-18(20)17-14(11-19)23-15(12-7-3-5-9-21-12)16(24-17)13-8-4-6-10-22-13;/h12-17,20-21,23H,2-10H2,1H3;12-13,15-17,20-21H,2-10H2,1H3;/q2*-2;+6