methyl-bis[3-(4-methylphenyl)-3-oxidanylidene-propyl]azanium chloride

Systemtic Name: methyl-bis[3-(4-methylphenyl)-3-oxidanylidene-propyl]azanium chloride Openeye Name: methyl-bis[3-oxo-3-(p-tolyl)propyl]ammonium chloride CAS Name: methyl-bis[3-(4-methylphenyl)-3-oxopropyl]ammonium chloride IUPAC Name: methyl-bis[3-(4-methylphenyl)-3-oxopropyl]azanium chloride Traditional Name: bis[3-keto-3-(p-tolyl)propyl]-methyl-ammonium chloride Formula: C21H26ClNO2 MolecularWeight: 359.88964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO2.ClH/c1-16-4-8-18(9-5-16)20(23)12-14-22(3)15-13-21(24)19-10-6-17(2)7-11-19;/h4-11H,12-15H2,1-3H3;1H