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

Systemtic Name: 1-(2-methoxyphenyl)-5-[3-(oxan-2-yl)propyl]-1,2,4-triazol-1-ium-1-carbonitrile Openeye Name: 1-(2-methoxyphenyl)-5-(3-tetrahydropyran-2-ylpropyl)-1,2,4-triazol-1-ium-1-carbonitrile CAS Name: 1-(2-methoxyphenyl)-5-[3-(2-oxanyl)propyl]-1,2,4-triazol-1-ium-1-carbonitrile IUPAC Name: 1-(2-methoxyphenyl)-5-[3-(oxan-2-yl)propyl]-1,2,4-triazol-1-ium-1-carbonitrile Traditional Name: 1-(2-methoxyphenyl)-5-(3-tetrahydropyran-2-ylpropyl)-1,2,4-triazol-1-ium-1-carbonitrile Formula: C18H23N4O2+ MolecularWeight: 327.40082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1[N+]2(C(=NC=N2)CCCC3CCCCO3)C#N

Isomeric SMILES

COC1=CC=CC=C1[N+]2(C(=NC=N2)CCCC3CCCCO3)C#N

InChI

InChI=1S/C18H23N4O2/c1-23-17-10-3-2-9-16(17)22(13-19)18(20-14-21-22)11-6-8-15-7-4-5-12-24-15/h2-3,9-10,14-15H,4-8,11-12H2,1H3/q+1