2-[5-(4-phenylphenyl)pent-4-ynyl]isoquinolin-2-ium

Systemtic Name: 2-[5-(4-phenylphenyl)pent-4-ynyl]isoquinolin-2-ium Openeye Name: 2-[5-(4-phenylphenyl)pent-4-ynyl]isoquinolin-2-ium CAS Name: 2-[5-(4-phenylphenyl)pent-4-ynyl]isoquinolin-2-ium IUPAC Name: 2-[5-(4-phenylphenyl)pent-4-ynyl]isoquinolin-2-ium Traditional Name: 2-[5-(4-phenylphenyl)pent-4-ynyl]isoquinolin-2-ium Formula: C26H22N+ MolecularWeight: 348.45958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C#CCCC[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C#CCCC[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H22N/c1-4-10-23(11-5-1)25-16-14-22(15-17-25)9-3-2-8-19-27-20-18-24-12-6-7-13-26(24)21-27/h1,4-7,10-18,20-21H,2,8,19H2/q+1