1-methyl-4-propan-2-yl-benzene; pyridine-4-carboxamide; ruthenium(2+); dichloride

Systemtic Name: 1-methyl-4-propan-2-yl-benzene; pyridine-4-carboxamide; ruthenium(2+); dichloride Openeye Name: 1-isopropyl-4-methyl-benzene; pyridine-4-carboxamide; ruthenium(2+); dichloride CAS Name: 1-methyl-4-propan-2-ylbenzene; 4-pyridinecarboxamide; ruthenium(2+); dichloride IUPAC Name: 1-methyl-4-propan-2-ylbenzene; pyridine-4-carboxamide; ruthenium(2+); dichloride Traditional Name: isonicotinamide; p-cymene; ruthenium(2+); dichloride Formula: C16H20Cl2N2ORu MolecularWeight: 428.3188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)C.C1=CN=CC=C1C(=O)N.[Cl-].[Cl-].[Ru+2]

Isomeric SMILES

CC1=CC=C(C=C1)C(C)C.C1=CN=CC=C1C(=O)N.[Cl-].[Cl-].[Ru+2]

InChI

InChI=1S/C10H14.C6H6N2O.2ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10;7-6(9)5-1-3-8-4-2-5;;;/h4-8H,1-3H3;1-4H,(H2,7,9);2*1H;/q;;;;+2/p-2