1-[1-(2-oxidanylidenepropyl)-3-phenyl-1,2,3,4-tetrazol-1-ium-5-yl]propan-2-one

Systemtic Name: 1-[1-(2-oxidanylidenepropyl)-3-phenyl-1,2,3,4-tetrazol-1-ium-5-yl]propan-2-one Openeye Name: 1-(1-acetonyl-3-phenyl-tetrazol-1-ium-5-yl)propan-2-one CAS Name: 1-[1-(2-oxopropyl)-3-phenyl-5-tetrazol-1-iumyl]-2-propanone IUPAC Name: 1-[1-(2-oxopropyl)-3-phenyltetrazol-1-ium-5-yl]propan-2-one Traditional Name: 1-(1-acetonyl-3-phenyl-tetrazol-1-ium-5-yl)acetone Formula: C13H15N4O2+ MolecularWeight: 259.2838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NN(N=[N+]1CC(=O)C)C2=CC=CC=C2

Isomeric SMILES

CC(=O)CC1=NN(N=[N+]1CC(=O)C)C2=CC=CC=C2

InChI

InChI=1S/C13H15N4O2/c1-10(18)8-13-14-17(12-6-4-3-5-7-12)15-16(13)9-11(2)19/h3-7H,8-9H2,1-2H3/q+1