1-(5,5-diphenylpent-4-en-2-ynyl)azepan-1-ium chloride

Systemtic Name: 1-(5,5-diphenylpent-4-en-2-ynyl)azepan-1-ium chloride Openeye Name: 1-(5,5-diphenylpent-4-en-2-ynyl)azepan-1-ium chloride CAS Name: 1-(5,5-diphenylpent-4-en-2-ynyl)azepan-1-ium chloride IUPAC Name: 1-(5,5-diphenylpent-4-en-2-ynyl)azepan-1-ium chloride Traditional Name: 1-(5,5-diphenylpent-4-en-2-ynyl)azepan-1-ium chloride Formula: C23H26ClN MolecularWeight: 351.91224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC#CC=C(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CCC[NH+](CC1)CC#CC=C(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C23H25N.ClH/c1-2-11-19-24(18-10-1)20-12-9-17-23(21-13-5-3-6-14-21)22-15-7-4-8-16-22;/h3-8,13-17H,1-2,10-11,18-20H2;1H