2-[[4-(2-hydroxyethyl)-5-(1-methylpyridin-1-ium-4-yl)-1,2,4-triazol-3-yl]amino]ethanol

Systemtic Name: 2-[[4-(2-hydroxyethyl)-5-(1-methylpyridin-1-ium-4-yl)-1,2,4-triazol-3-yl]amino]ethanol Openeye Name: 2-[[4-(2-hydroxyethyl)-5-(1-methylpyridin-1-ium-4-yl)-1,2,4-triazol-3-yl]amino]ethanol CAS Name: 2-[[4-(2-hydroxyethyl)-5-(1-methyl-4-pyridin-1-iumyl)-1,2,4-triazol-3-yl]amino]ethanol IUPAC Name: 2-[[4-(2-hydroxyethyl)-5-(1-methylpyridin-1-ium-4-yl)-1,2,4-triazol-3-yl]amino]ethanol Traditional Name: 2-[[4-(2-hydroxyethyl)-5-(1-methylpyridin-1-ium-4-yl)-1,2,4-triazol-3-yl]amino]ethanol Formula: C12H18N5O2+ MolecularWeight: 264.30362

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=NN=C(N2CCO)NCCO

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=NN=C(N2CCO)NCCO

InChI

InChI=1S/C12H17N5O2/c1-16-5-2-10(3-6-16)11-14-15-12(13-4-8-18)17(11)7-9-19/h2-3,5-6,18-19H,4,7-9H2,1H3/p+1