4,4-diphenylhept-5-ynyl-methyl-(phenylmethyl)azanium chloride

Systemtic Name: 4,4-diphenylhept-5-ynyl-methyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-(4,4-diphenylhept-5-ynyl)-methyl-ammonium chloride CAS Name: 4,4-diphenylhept-5-ynyl-methyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-(4,4-diphenylhept-5-ynyl)-methylazanium chloride Traditional Name: benzyl-(4,4-diphenylhept-5-ynyl)-methyl-ammonium chloride Formula: C27H30ClN MolecularWeight: 403.9868

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(CCC[NH+](C)CC1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC#CC(CCC[NH+](C)CC1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C27H29N.ClH/c1-3-20-27(25-16-9-5-10-17-25,26-18-11-6-12-19-26)21-13-22-28(2)23-24-14-7-4-8-15-24;/h4-12,14-19H,13,21-23H2,1-2H3;1H