methyl 2-[1-methyl-4-(1-oxidanylidene-1-phenyl-propan-2-yl)-1,2,3,4-tetrazol-1-ium-5-yl]ethanoate

Systemtic Name: methyl 2-[1-methyl-4-(1-oxidanylidene-1-phenyl-propan-2-yl)-1,2,3,4-tetrazol-1-ium-5-yl]ethanoate Openeye Name: methyl 2-[1-methyl-4-(1-methyl-2-oxo-2-phenyl-ethyl)tetrazol-1-ium-5-yl]acetate CAS Name: 2-[1-methyl-4-(1-oxo-1-phenylpropan-2-yl)-5-tetrazol-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-methyl-4-(1-oxo-1-phenylpropan-2-yl)tetrazol-1-ium-5-yl]acetate Traditional Name: 2-[1-(2-keto-1-methyl-2-phenyl-ethyl)-4-methyl-tetrazol-4-ium-5-yl]acetic acid methyl ester Formula: C14H17N4O3+ MolecularWeight: 289.30978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)N2C(=[N+](N=N2)C)CC(=O)OC

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)N2C(=[N+](N=N2)C)CC(=O)OC

InChI

InChI=1S/C14H17N4O3/c1-10(14(20)11-7-5-4-6-8-11)18-12(9-13(19)21-3)17(2)15-16-18/h4-8,10H,9H2,1-3H3/q+1