1-methyl-4-propan-2-yl-cyclohexane; (2S)-N-quinolin-6-ylpyrrolidine-2-carboximidate; ruthenium(2+); chloride

Systemtic Name: 1-methyl-4-propan-2-yl-cyclohexane; (2S)-N-quinolin-6-ylpyrrolidine-2-carboximidate; ruthenium(2+); chloride Openeye Name: 1-isopropyl-4-methyl-cyclohexane; (2S)-N-(6-quinolyl)pyrrolidine-2-carboximidate; ruthenium(2+); chloride CAS Name: 1-methyl-4-propan-2-ylcyclohexane; (2S)-N-(6-quinolinyl)-2-pyrrolidinecarboximidate; ruthenium(2+); chloride IUPAC Name: 1-methyl-4-propan-2-ylcyclohexane; (2S)-N-quinolin-6-ylpyrrolidine-2-carboximidate; ruthenium(2+); chloride Traditional Name: 1-isopropyl-4-methyl-cyclohexane; (2S)-N-(6-quinolyl)pyrrolidine-2-carboximidate; ruthenium(2+); chloride Formula: C24H28ClN3ORu MolecularWeight: 511.02162

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Descriptors Computed from Structure

Canonical SMILES:

C[C]1[CH][CH][C]([CH][CH]1)C(C)C.C1CC(NC1)C(=NC2=CC3=C(C=C2)N=CC=C3)[O-].[Cl-].[Ru+2]

Isomeric SMILES

C[C]1[CH][CH][C]([CH][CH]1)C(C)C.C1C[C@H](NC1)C(=NC2=CC3=C(C=C2)N=CC=C3)[O-].[Cl-].[Ru+2]

InChI

InChI=1S/C14H15N3O.C10H14.ClH.Ru/c18-14(13-4-2-8-16-13)17-11-5-6-12-10(9-11)3-1-7-15-12;1-8(2)10-6-4-9(3)5-7-10;;/h1,3,5-7,9,13,16H,2,4,8H2,(H,17,18);4-8H,1-3H3;1H;/q;;;+2/p-2/t13-;;;/m0.../s1