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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]-[(1S)-1-[1-(2-methoxyethyl)-1,2,3,4-tetrazol-5-yl]propyl]azanium Openeye Name: (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]ammonium CAS Name: (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]-[(1S)-1-[1-(2-methoxyethyl)-5-tetrazolyl]propyl]ammonium IUPAC Name: (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]azanium Traditional Name: (4-fluorobenzyl)-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]ammonium Formula: C26H32FN6O2+ MolecularWeight: 479.569683

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1CCOC)[NH+](CC2=CC=C(C=C2)F)CC3=CC4=CC(=C(C=C4NC3=O)C)C

Isomeric SMILES

CC[C@@H](C1=NN=NN1CCOC)[NH+](CC2=CC=C(C=C2)F)CC3=CC4=CC(=C(C=C4NC3=O)C)C

InChI

InChI=1S/C26H31FN6O2/c1-5-24(25-29-30-31-33(25)10-11-35-4)32(15-19-6-8-22(27)9-7-19)16-21-14-20-12-17(2)18(3)13-23(20)28-26(21)34/h6-9,12-14,24H,5,10-11,15-16H2,1-4H3,(H,28,34)/p+1/t24-/m0/s1