2-[1-cyclopentyl-5-(4-methylphenyl)carbonyl-1,2,3,4-tetrazol-1-ium-1-yl]ethanoate

Systemtic Name: 2-[1-cyclopentyl-5-(4-methylphenyl)carbonyl-1,2,3,4-tetrazol-1-ium-1-yl]ethanoate Openeye Name: 2-[1-cyclopentyl-5-(4-methylbenzoyl)tetrazol-1-ium-1-yl]acetate CAS Name: 2-[1-cyclopentyl-5-[(4-methylphenyl)-oxomethyl]-1-tetrazol-1-iumyl]acetate IUPAC Name: 2-[1-cyclopentyl-5-(4-methylbenzoyl)tetrazol-1-ium-1-yl]acetate Traditional Name: 2-(1-cyclopentyl-5-p-toluoyl-tetrazol-1-ium-1-yl)acetate Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=NN=N[N+]2(CC(=O)[O-])C3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=NN=N[N+]2(CC(=O)[O-])C3CCCC3

InChI

InChI=1S/C16H18N4O3/c1-11-6-8-12(9-7-11)15(23)16-17-18-19-20(16,10-14(21)22)13-4-2-3-5-13/h6-9,13H,2-5,10H2,1H3