(4-chloranylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl-triethyl-azanium

Systemtic Name: (4-chloranylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl-triethyl-azanium Openeye Name: (4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl-triethyl-ammonium CAS Name: (4-chloro-5-pyrrolo[2,1-f][1,2,4]triazinyl)methyl-triethylammonium IUPAC Name: (4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl-triethylazanium Traditional Name: (4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl-triethyl-ammonium Formula: C13H20ClN4+ MolecularWeight: 267.7777

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CC1=C2C(=NC=NN2C=C1)Cl

Isomeric SMILES

CC[N+](CC)(CC)CC1=C2C(=NC=NN2C=C1)Cl

InChI

InChI=1S/C13H20ClN4/c1-4-18(5-2,6-3)9-11-7-8-17-12(11)13(14)15-10-16-17/h7-8,10H,4-6,9H2,1-3H3/q+1