3-butyl-1-[5-(4-phenylphenyl)pent-4-ynyl]pyridin-1-ium

Systemtic Name: 3-butyl-1-[5-(4-phenylphenyl)pent-4-ynyl]pyridin-1-ium Openeye Name: 3-butyl-1-[5-(4-phenylphenyl)pent-4-ynyl]pyridin-1-ium CAS Name: 3-butyl-1-[5-(4-phenylphenyl)pent-4-ynyl]pyridin-1-ium IUPAC Name: 3-butyl-1-[5-(4-phenylphenyl)pent-4-ynyl]pyridin-1-ium Traditional Name: 3-butyl-1-[5-(4-phenylphenyl)pent-4-ynyl]pyridin-1-ium Formula: C26H28N+ MolecularWeight: 354.50722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C[N+](=CC=C1)CCCC#CC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=C[N+](=CC=C1)CCCC#CC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H28N/c1-2-3-11-24-13-10-21-27(22-24)20-9-5-6-12-23-16-18-26(19-17-23)25-14-7-4-8-15-25/h4,7-8,10,13-19,21-22H,2-3,5,9,11,20H2,1H3/q+1