2-(4-dodecyl-1,5-dihydro-1,2,4-triazol-1-ium-1-yl)-2-methyl-1-phenyl-propan-1-one chloride

Systemtic Name: 2-(4-dodecyl-1,5-dihydro-1,2,4-triazol-1-ium-1-yl)-2-methyl-1-phenyl-propan-1-one chloride Openeye Name: 2-(4-dodecyl-1,5-dihydro-1,2,4-triazol-1-ium-1-yl)-2-methyl-1-phenyl-propan-1-one chloride CAS Name: 2-(4-dodecyl-1,5-dihydro-1,2,4-triazol-1-ium-1-yl)-2-methyl-1-phenyl-1-propanone chloride IUPAC Name: 2-(4-dodecyl-1,5-dihydro-1,2,4-triazol-1-ium-1-yl)-2-methyl-1-phenylpropan-1-one chloride Traditional Name: 2-(4-lauryl-1,5-dihydro-1,2,4-triazol-1-ium-1-yl)-2-methyl-1-phenyl-propan-1-one chloride Formula: C24H40ClN3O MolecularWeight: 422.0469

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C[NH+](N=C1)C(C)(C)C(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCN1C[NH+](N=C1)C(C)(C)C(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C24H39N3O.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-26-20-25-27(21-26)24(2,3)23(28)22-17-14-13-15-18-22;/h13-15,17-18,20H,4-12,16,19,21H2,1-3H3;1H