(2S)-2-azanidyl-4-methyl-N-(3-methylbutyl)pentanimidate; nickel(2+); 1,10-phenanthroline

Systemtic Name: (2S)-2-azanidyl-4-methyl-N-(3-methylbutyl)pentanimidate; nickel(2+); 1,10-phenanthroline Openeye Name: nickelous; (2S)-2-azanidyl-N-isopentyl-4-methyl-pentanimidate; 1,10-phenanthroline CAS Name: (2S)-2-azanidyl-4-methyl-N-(3-methylbutyl)pentanimidate; nickel(2+); 1,10-phenanthroline IUPAC Name: (2S)-2-azanidyl-4-methyl-N-(3-methylbutyl)pentanimidate; nickel(2+); 1,10-phenanthroline Traditional Name: nickelous; (2S)-2-amidyl-N-isoamyl-4-methyl-valerimidate; 1,10-phenanthroline Formula: C23H30N4NiO MolecularWeight: 437.2039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN=C(C(CC(C)C)[NH-])[O-].C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Ni+2]

Isomeric SMILES

CC(C)CCN=C([C@H](CC(C)C)[NH-])[O-].C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Ni+2]

InChI

InChI=1S/C12H8N2.C11H23N2O.Ni/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-8(2)5-6-13-11(14)10(12)7-9(3)4;/h1-8H;8-10,12H,5-7H2,1-4H3,(H,13,14);/q;-1;+2/p-1/t;10-;/m.0./s1