1-(2-methoxyphenyl)-5-(3-pyridin-2-ylpropyl)-1,2,4-triazol-1-ium-1-carbonitrile

Systemtic Name: 1-(2-methoxyphenyl)-5-(3-pyridin-2-ylpropyl)-1,2,4-triazol-1-ium-1-carbonitrile Openeye Name: 1-(2-methoxyphenyl)-5-[3-(2-pyridyl)propyl]-1,2,4-triazol-1-ium-1-carbonitrile CAS Name: 1-(2-methoxyphenyl)-5-[3-(2-pyridinyl)propyl]-1,2,4-triazol-1-ium-1-carbonitrile IUPAC Name: 1-(2-methoxyphenyl)-5-(3-pyridin-2-ylpropyl)-1,2,4-triazol-1-ium-1-carbonitrile Traditional Name: 1-(2-methoxyphenyl)-5-[3-(2-pyridyl)propyl]-1,2,4-triazol-1-ium-1-carbonitrile Formula: C18H18N5O+ MolecularWeight: 320.36842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1[N+]2(C(=NC=N2)CCCC3=CC=CC=N3)C#N

Isomeric SMILES

COC1=CC=CC=C1[N+]2(C(=NC=N2)CCCC3=CC=CC=N3)C#N

InChI

InChI=1S/C18H18N5O/c1-24-17-10-3-2-9-16(17)23(13-19)18(21-14-22-23)11-6-8-15-7-4-5-12-20-15/h2-5,7,9-10,12,14H,6,8,11H2,1H3/q+1