1-phenyl-5-(4-pyridin-2-ylbutyl)-1,2,4-triazol-1-ium-1-carbonitrile

Systemtic Name: 1-phenyl-5-(4-pyridin-2-ylbutyl)-1,2,4-triazol-1-ium-1-carbonitrile Openeye Name: 1-phenyl-5-[4-(2-pyridyl)butyl]-1,2,4-triazol-1-ium-1-carbonitrile CAS Name: 1-phenyl-5-[4-(2-pyridinyl)butyl]-1,2,4-triazol-1-ium-1-carbonitrile IUPAC Name: 1-phenyl-5-(4-pyridin-2-ylbutyl)-1,2,4-triazol-1-ium-1-carbonitrile Traditional Name: 1-phenyl-5-[4-(2-pyridyl)butyl]-1,2,4-triazol-1-ium-1-carbonitrile Formula: C18H18N5+ MolecularWeight: 304.36902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2(C(=NC=N2)CCCCC3=CC=CC=N3)C#N

Isomeric SMILES

C1=CC=C(C=C1)[N+]2(C(=NC=N2)CCCCC3=CC=CC=N3)C#N

InChI

InChI=1S/C18H18N5/c19-14-23(17-10-2-1-3-11-17)18(21-15-22-23)12-5-4-8-16-9-6-7-13-20-16/h1-3,6-7,9-11,13,15H,4-5,8,12H2/q+1