2-(4-azanyl-3,5-diethyl-1,2,4-triazol-4-ium-1-yl)-1-phenyl-ethanone

Systemtic Name: 2-(4-azanyl-3,5-diethyl-1,2,4-triazol-4-ium-1-yl)-1-phenyl-ethanone Openeye Name: 2-(4-amino-3,5-diethyl-1,2,4-triazol-4-ium-1-yl)-1-phenyl-ethanone CAS Name: 2-(4-amino-3,5-diethyl-1,2,4-triazol-4-ium-1-yl)-1-phenylethanone IUPAC Name: 2-(4-amino-3,5-diethyl-1,2,4-triazol-4-ium-1-yl)-1-phenylethanone Traditional Name: 2-(4-amino-3,5-diethyl-1,2,4-triazol-4-ium-1-yl)-1-phenyl-ethanone Formula: C14H19N4O+ MolecularWeight: 259.32686

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=[N+]1N)CC)CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC1=NN(C(=[N+]1N)CC)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H19N4O/c1-3-13-16-17(14(4-2)18(13)15)10-12(19)11-8-6-5-7-9-11/h5-9H,3-4,10,15H2,1-2H3/q+1