(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(1S)-1-[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]propyl]-(phenylmethyl)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]-(phenylmethyl)azanium Openeye Name: benzyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-(2-furylmethyl)tetrazol-5-yl]propyl]ammonium CAS Name: (6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(1S)-1-[1-(2-furanylmethyl)-5-tetrazolyl]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]azanium Traditional Name: benzyl-[(1S)-1-[1-(2-furfuryl)tetrazol-5-yl]propyl]-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]ammonium Formula: C28H31N6O4+ MolecularWeight: 515.58354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N6O4/c1-4-24(27-30-31-32-34(27)18-22-11-8-12-38-22)33(16-19-9-6-5-7-10-19)17-21-13-20-14-25(36-2)26(37-3)15-23(20)29-28(21)35/h5-15,24H,4,16-18H2,1-3H3,(H,29,35)/p+1/t24-/m0/s1