1-(4-chlorophenyl)-5-(4-phenoxybutyl)-1,2,4-triazol-1-ium-1-carbonitrile

Systemtic Name: 1-(4-chlorophenyl)-5-(4-phenoxybutyl)-1,2,4-triazol-1-ium-1-carbonitrile Openeye Name: 1-(4-chlorophenyl)-5-(4-phenoxybutyl)-1,2,4-triazol-1-ium-1-carbonitrile CAS Name: 1-(4-chlorophenyl)-5-(4-phenoxybutyl)-1,2,4-triazol-1-ium-1-carbonitrile IUPAC Name: 1-(4-chlorophenyl)-5-(4-phenoxybutyl)-1,2,4-triazol-1-ium-1-carbonitrile Traditional Name: 1-(4-chlorophenyl)-5-(4-phenoxybutyl)-1,2,4-triazol-1-ium-1-carbonitrile Formula: C19H18ClN4O+ MolecularWeight: 353.82542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCC2=NC=N[N+]2(C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCCCCC2=NC=N[N+]2(C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18ClN4O/c20-16-9-11-17(12-10-16)24(14-21)19(22-15-23-24)8-4-5-13-25-18-6-2-1-3-7-18/h1-3,6-7,9-12,15H,4-5,8,13H2/q+1