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

Systemtic Name: cyclohexyl-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-[[(2S)-oxolan-2-yl]methyl]-1,2,3,4-tetrazol-5-yl]propyl]azanium Openeye Name: cyclohexyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]propyl]ammonium CAS Name: cyclohexyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-[[(2S)-2-oxolanyl]methyl]-5-tetrazolyl]propyl]ammonium IUPAC Name: cyclohexyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]azanium Traditional Name: cyclohexyl-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]propyl]ammonium Formula: C27H39N6O2+ MolecularWeight: 479.63756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1CC2CCCO2)[NH+](CC3=CC4=CC(=C(C=C4NC3=O)C)C)C5CCCCC5

Isomeric SMILES

CC[C@@H](C1=NN=NN1C[C@@H]2CCCO2)[NH+](CC3=CC4=CC(=C(C=C4NC3=O)C)C)C5CCCCC5

InChI

InChI=1S/C27H38N6O2/c1-4-25(26-29-30-31-33(26)17-23-11-8-12-35-23)32(22-9-6-5-7-10-22)16-21-15-20-13-18(2)19(3)14-24(20)28-27(21)34/h13-15,22-23,25H,4-12,16-17H2,1-3H3,(H,28,34)/p+1/t23-,25-/m0/s1