5-[3-(oxolan-2-yl)propyl]-1-phenyl-1,2,4-triazol-1-ium-1-carbonitrile

Systemtic Name: 5-[3-(oxolan-2-yl)propyl]-1-phenyl-1,2,4-triazol-1-ium-1-carbonitrile Openeye Name: 1-phenyl-5-(3-tetrahydrofuran-2-ylpropyl)-1,2,4-triazol-1-ium-1-carbonitrile CAS Name: 5-[3-(2-oxolanyl)propyl]-1-phenyl-1,2,4-triazol-1-ium-1-carbonitrile IUPAC Name: 5-[3-(oxolan-2-yl)propyl]-1-phenyl-1,2,4-triazol-1-ium-1-carbonitrile Traditional Name: 1-phenyl-5-[3-(tetrahydrofuryl)propyl]-1,2,4-triazol-1-ium-1-carbonitrile Formula: C16H19N4O+ MolecularWeight: 283.34826

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CCCC2=NC=N[N+]2(C#N)C3=CC=CC=C3

Isomeric SMILES

C1CC(OC1)CCCC2=NC=N[N+]2(C#N)C3=CC=CC=C3

InChI

InChI=1S/C16H19N4O/c17-12-20(14-6-2-1-3-7-14)16(18-13-19-20)10-4-8-15-9-5-11-21-15/h1-3,6-7,13,15H,4-5,8-11H2/q+1