(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]-[(1S)-1-[1-[[(2S)-oxolan-2-yl]methyl]-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-[[(2S)-oxolan-2-yl]methyl]-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-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]propyl]ammonium CAS Name: (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]-[(1S)-1-[1-[[(2S)-2-oxolanyl]methyl]-5-tetrazolyl]propyl]ammonium IUPAC Name: (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]-[(1S)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]azanium Traditional Name: (4-fluorobenzyl)-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]propyl]ammonium Formula: C28H34FN6O2+ MolecularWeight: 505.606963

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1CC2CCCO2)[NH+](CC3=CC=C(C=C3)F)CC4=CC5=CC(=C(C=C5NC4=O)C)C

Isomeric SMILES

CC[C@@H](C1=NN=NN1C[C@@H]2CCCO2)[NH+](CC3=CC=C(C=C3)F)CC4=CC5=CC(=C(C=C5NC4=O)C)C

InChI

InChI=1S/C28H33FN6O2/c1-4-26(27-31-32-33-35(27)17-24-6-5-11-37-24)34(15-20-7-9-23(29)10-8-20)16-22-14-21-12-18(2)19(3)13-25(21)30-28(22)36/h7-10,12-14,24,26H,4-6,11,15-17H2,1-3H3,(H,30,36)/p+1/t24-,26-/m0/s1