cyclohexyl-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-[(4-fluorophenyl)methyl]-1,2,3,4-tetrazol-5-yl]propyl]azanium

Systemtic Name: cyclohexyl-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-[(4-fluorophenyl)methyl]-1,2,3,4-tetrazol-5-yl]propyl]azanium Openeye Name: cyclohexyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]ammonium CAS Name: cyclohexyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-[(4-fluorophenyl)methyl]-5-tetrazolyl]propyl]ammonium IUPAC Name: cyclohexyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]azanium Traditional Name: cyclohexyl-[(1S)-1-[1-(4-fluorobenzyl)tetrazol-5-yl]propyl]-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]ammonium Formula: C29H36FN6O3+ MolecularWeight: 535.632943

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1CC2=CC=C(C=C2)F)[NH+](CC3=CC4=CC(=C(C=C4NC3=O)OC)OC)C5CCCCC5

Isomeric SMILES

CC[C@@H](C1=NN=NN1CC2=CC=C(C=C2)F)[NH+](CC3=CC4=CC(=C(C=C4NC3=O)OC)OC)C5CCCCC5

InChI

InChI=1S/C29H35FN6O3/c1-4-25(28-32-33-34-36(28)17-19-10-12-22(30)13-11-19)35(23-8-6-5-7-9-23)18-21-14-20-15-26(38-2)27(39-3)16-24(20)31-29(21)37/h10-16,23,25H,4-9,17-18H2,1-3H3,(H,31,37)/p+1/t25-/m0/s1