hafnium(4+); methanidylbenzene; (1-methanidyl-6-naphthalen-1-yl-pyridin-1-ium-2-yl)methyl-(2,4,6-trimethylphenyl)azanide

Systemtic Name: hafnium(4+); methanidylbenzene; (1-methanidyl-6-naphthalen-1-yl-pyridin-1-ium-2-yl)methyl-(2,4,6-trimethylphenyl)azanide Openeye Name: hafnium(4+); methanidylbenzene; [1-methanidyl-6-(1-naphthyl)pyridin-1-ium-2-yl]methyl-(2,4,6-trimethylphenyl)azanide CAS Name: hafnium(4+); methanidylbenzene; [1-methanidyl-6-(1-naphthalenyl)-2-pyridin-1-iumyl]methyl-(2,4,6-trimethylphenyl)azanide IUPAC Name: hafnium(4+); methanidylbenzene; (1-methanidyl-6-naphthalen-1-ylpyridin-1-ium-2-yl)methyl-(2,4,6-trimethylphenyl)azanide Traditional Name: hafnium(4+); mesityl-[[1-methanidyl-6-(1-naphthyl)pyridin-1-ium-2-yl]methyl]azanide; methanidylbenzene Formula: C47H46HfN2 MolecularWeight: 817.37154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)[N-]CC2=CC=CC(=[N+]2[CH2-])C3=CC=CC4=CC=CC=C43)C.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Hf+4]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)[N-]CC2=CC=CC(=[N+]2[CH2-])C3=CC=CC4=CC=CC=C43)C.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Hf+4]

InChI

InChI=1S/C26H25N2.3C7H7.Hf/c1-18-15-19(2)26(20(3)16-18)27-17-22-11-8-14-25(28(22)4)24-13-7-10-21-9-5-6-12-23(21)24;3*1-7-5-3-2-4-6-7;/h5-16H,4,17H2,1-3H3;3*2-6H,1H2;/q4*-1;+4