zinc 1,3-bis[(5-methylimidazol-4-ylidene)methylamino]propan-2-ol hydrate

Systemtic Name: zinc 1,3-bis[(5-methylimidazol-4-ylidene)methylamino]propan-2-ol hydrate Openeye Name: zinc 1,3-bis[(5-methylimidazol-4-ylidene)methylamino]propan-2-ol hydrate CAS Name: zinc 1,3-bis[(5-methyl-4-imidazolylidene)methylamino]-2-propanol hydrate IUPAC Name: zinc 1,3-bis[(5-methylimidazol-4-ylidene)methylamino]propan-2-ol hydrate Traditional Name: zinc 1,3-bis[(5-methylimidazol-4-ylidene)methylamino]propan-2-ol hydrate Formula: C13H20N6O2Zn+2 MolecularWeight: 357.7459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=NC1=CNCC(CNC=C2C(=NC=N2)C)O.O.[Zn+2]

Isomeric SMILES

CC1=NC=NC1=CNCC(CNC=C2C(=NC=N2)C)O.O.[Zn+2]

InChI

InChI=1S/C13H18N6O.H2O.Zn/c1-9-12(18-7-16-9)5-14-3-11(20)4-15-6-13-10(2)17-8-19-13;;/h5-8,11,14-15,20H,3-4H2,1-2H3;1H2;/q;;+2