(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]-[(1S)-1-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]propyl]azanium

Systemtic Name: (5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]-[(1S)-1-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]propyl]azanium Openeye Name: (5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(1S)-1-[1-(1,1-dimethylpropyl)tetrazol-5-yl]propyl]-[(4-fluorophenyl)methyl]ammonium CAS Name: (5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]-[(1S)-1-[1-(2-methylbutan-2-yl)-5-tetrazolyl]propyl]ammonium IUPAC Name: (5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]-[(1S)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]azanium Traditional Name: [(1S)-1-(1-tert-amyltetrazol-5-yl)propyl]-(4-fluorobenzyl)-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]ammonium Formula: C28H36FN6O+ MolecularWeight: 491.623443

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1C(C)(C)CC)[NH+](CC2=CC=C(C=C2)F)CC3=CC4=C(C=C(C=C4NC3=O)C)C

Isomeric SMILES

CC[C@@H](C1=NN=NN1C(C)(C)CC)[NH+](CC2=CC=C(C=C2)F)CC3=CC4=C(C=C(C=C4NC3=O)C)C

InChI

InChI=1S/C28H35FN6O/c1-7-25(26-31-32-33-35(26)28(5,6)8-2)34(16-20-9-11-22(29)12-10-20)17-21-15-23-19(4)13-18(3)14-24(23)30-27(21)36/h9-15,25H,7-8,16-17H2,1-6H3,(H,30,36)/p+1/t25-/m0/s1