[4-(4-azaniumyl-3-methyl-phenyl)-2-methyl-phenyl]azanium dichloride hydrate

Systemtic Name: [4-(4-azaniumyl-3-methyl-phenyl)-2-methyl-phenyl]azanium dichloride hydrate Openeye Name: [4-(4-azaniumyl-3-methyl-phenyl)-2-methyl-phenyl]ammonium dichloride hydrate CAS Name: [4-(4-ammonio-3-methylphenyl)-2-methylphenyl]ammonium dichloride hydrate IUPAC Name: [4-(4-azaniumyl-3-methylphenyl)-2-methylphenyl]azanium dichloride hydrate Traditional Name: [4-(4-ammonio-3-methyl-phenyl)-2-methyl-phenyl]ammonium dichloride hydrate Formula: C14H20Cl2N2O MolecularWeight: 303.2274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)[NH3+])C)[NH3+].O.[Cl-].[Cl-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)[NH3+])C)[NH3+].O.[Cl-].[Cl-]

InChI

InChI=1S/C14H16N2.2ClH.H2O/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;;;/h3-8H,15-16H2,1-2H3;2*1H;1H2