[5-(2,5-dimethylphenyl)-5-phenyl-pent-2-ynyl]-diethyl-azanium chloride

Systemtic Name: [5-(2,5-dimethylphenyl)-5-phenyl-pent-2-ynyl]-diethyl-azanium chloride Openeye Name: [5-(2,5-dimethylphenyl)-5-phenyl-pent-2-ynyl]-diethyl-ammonium chloride CAS Name: [5-(2,5-dimethylphenyl)-5-phenylpent-2-ynyl]-diethylammonium chloride IUPAC Name: [5-(2,5-dimethylphenyl)-5-phenylpent-2-ynyl]-diethylazanium chloride Traditional Name: [5-(2,5-dimethylphenyl)-5-phenyl-pent-2-ynyl]-diethyl-ammonium chloride Formula: C23H30ClN MolecularWeight: 355.944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N.ClH/c1-5-24(6-2)17-11-10-14-22(21-12-8-7-9-13-21)23-18-19(3)15-16-20(23)4;/h7-9,12-13,15-16,18,22H,5-6,14,17H2,1-4H3;1H