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

Systemtic Name: (6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(1S)-1-[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]propyl]-phenethyl-azanium Openeye Name: (6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(1S)-1-[1-(2-furylmethyl)tetrazol-5-yl]propyl]-phenethyl-ammonium CAS Name: (6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(1S)-1-[1-(2-furanylmethyl)-5-tetrazolyl]propyl]-phenethylammonium IUPAC Name: (6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]-phenethylazanium Traditional Name: [(1S)-1-[1-(2-furfuryl)tetrazol-5-yl]propyl]-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-phenethyl-ammonium Formula: C29H33N6O4+ MolecularWeight: 529.61012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1CC2=CC=CO2)[NH+](CCC3=CC=CC=C3)CC4=CC5=CC(=C(C=C5NC4=O)OC)OC

Isomeric SMILES

CC[C@@H](C1=NN=NN1CC2=CC=CO2)[NH+](CCC3=CC=CC=C3)CC4=CC5=CC(=C(C=C5NC4=O)OC)OC

InChI

InChI=1S/C29H32N6O4/c1-4-25(28-31-32-33-35(28)19-23-11-8-14-39-23)34(13-12-20-9-6-5-7-10-20)18-22-15-21-16-26(37-2)27(38-3)17-24(21)30-29(22)36/h5-11,14-17,25H,4,12-13,18-19H2,1-3H3,(H,30,36)/p+1/t25-/m0/s1