(3R)-3-[methyl(octadecyl)amino]butanoate; nickel(2+)

Systemtic Name: (3R)-3-[methyl(octadecyl)amino]butanoate; nickel(2+) Openeye Name: nickelous (3R)-3-[methyl(octadecyl)amino]butanoate CAS Name: (3R)-3-[methyl(octadecyl)amino]butanoate; nickel(2+) IUPAC Name: (3R)-3-[methyl(octadecyl)amino]butanoate; nickel(2+) Traditional Name: nickelous (3R)-3-[methyl(stearyl)amino]butyrate Formula: C46H92N2NiO4 MolecularWeight: 795.92708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C(C)CC(=O)[O-].CCCCCCCCCCCCCCCCCCN(C)C(C)CC(=O)[O-].[Ni+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)[C@H](C)CC(=O)[O-].CCCCCCCCCCCCCCCCCCN(C)[C@H](C)CC(=O)[O-].[Ni+2]

InChI

InChI=1S/2C23H47NO2.Ni/c2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(3)22(2)21-23(25)26;/h2*22H,4-21H2,1-3H3,(H,25,26);/q;;+2/p-2/t2*22-;/m11./s1