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

Systemtic Name: [(1S)-1-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)propyl]-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-[(4-fluorophenyl)methyl]azanium Openeye Name: [(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[(4-fluorophenyl)methyl]ammonium CAS Name: [(1S)-1-(1-tert-butyl-5-tetrazolyl)propyl]-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[(4-fluorophenyl)methyl]ammonium IUPAC Name: [(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[(4-fluorophenyl)methyl]azanium Traditional Name: [(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-(4-fluorobenzyl)-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]ammonium Formula: C27H34FN6O+ MolecularWeight: 477.596863

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H33FN6O/c1-7-24(25-30-31-32-34(25)27(4,5)6)33(15-19-8-10-21(28)11-9-19)16-20-14-22-18(3)12-17(2)13-23(22)29-26(20)35/h8-14,24H,7,15-16H2,1-6H3,(H,29,35)/p+1/t24-/m0/s1