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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(1S)-1-[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]propyl]-(pyridin-3-ylmethyl)azanium Openeye Name: (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(1S)-1-[1-(2-furylmethyl)tetrazol-5-yl]propyl]-(3-pyridylmethyl)ammonium CAS Name: (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(1S)-1-[1-(2-furanylmethyl)-5-tetrazolyl]propyl]-(3-pyridinylmethyl)ammonium IUPAC Name: (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(1S)-1-[1-(2-furfuryl)tetrazol-5-yl]propyl]-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]-(3-pyridylmethyl)ammonium Formula: C27H30N7O2+ MolecularWeight: 484.5728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1CC2=CC=CO2)[NH+](CC3=CN=CC=C3)CC4=CC5=CC(=C(C=C5NC4=O)C)C

Isomeric SMILES

CC[C@@H](C1=NN=NN1CC2=CC=CO2)[NH+](CC3=CN=CC=C3)CC4=CC5=CC(=C(C=C5NC4=O)C)C

InChI

InChI=1S/C27H29N7O2/c1-4-25(26-30-31-32-34(26)17-23-8-6-10-36-23)33(15-20-7-5-9-28-14-20)16-22-13-21-11-18(2)19(3)12-24(21)29-27(22)35/h5-14,25H,4,15-17H2,1-3H3,(H,29,35)/p+1/t25-/m0/s1