1-(6-methyl-2-phenyl-3H-pyrrolo[2,1-e][1,2,3,4]tetrazol-4-ium-5-yl)ethanone

Systemtic Name: 1-(6-methyl-2-phenyl-3H-pyrrolo[2,1-e][1,2,3,4]tetrazol-4-ium-5-yl)ethanone Openeye Name: 1-(6-methyl-2-phenyl-3H-pyrrolo[2,1-e]tetrazol-4-ium-5-yl)ethanone CAS Name: 1-(6-methyl-2-phenyl-3H-pyrrolo[2,1-e]tetrazol-4-ium-5-yl)ethanone IUPAC Name: 1-(6-methyl-2-phenyl-3H-pyrrolo[2,1-e]tetrazol-4-ium-5-yl)ethanone Traditional Name: 1-(6-methyl-2-phenyl-3H-pyrrolo[2,1-e]tetrazol-4-ium-5-yl)ethanone Formula: C13H13N4O+ MolecularWeight: 241.26852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N[N+]2=C1C(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=NN(N[N+]2=C1C(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C13H12N4O/c1-9-8-12-14-17(11-6-4-3-5-7-11)15-16(12)13(9)10(2)18/h3-8H,1-2H3/p+1