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

Systemtic Name: 1-(5,5-diphenylpent-4-en-2-ynyl)azepan-1-ium Openeye Name: 1-(5,5-diphenylpent-4-en-2-ynyl)azepan-1-ium CAS Name: 1-(5,5-diphenylpent-4-en-2-ynyl)azepan-1-ium IUPAC Name: 1-(5,5-diphenylpent-4-en-2-ynyl)azepan-1-ium Traditional Name: 1-(5,5-diphenylpent-4-en-2-ynyl)azepan-1-ium Formula: C23H26N+ MolecularWeight: 316.45924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N/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/p+1