[2-oxidanylidene-3-[1-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]-1,2,3,4-tetrazol-1-ium-1-yl]-1H-quinolin-6-yl] ethanoate

Systemtic Name: [2-oxidanylidene-3-[1-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]-1,2,3,4-tetrazol-1-ium-1-yl]-1H-quinolin-6-yl] ethanoate Openeye Name: [2-oxo-3-[1-[[3-(2-quinolylmethoxy)phenyl]methyl]tetrazol-1-ium-1-yl]-1H-quinolin-6-yl] acetate CAS Name: acetic acid [2-oxo-3-[1-[[3-(2-quinolinylmethoxy)phenyl]methyl]-1-tetrazol-1-iumyl]-1H-quinolin-6-yl] ester IUPAC Name: [2-oxo-3-[1-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]tetrazol-1-ium-1-yl]-1H-quinolin-6-yl] acetate Traditional Name: acetic acid [2-keto-3-[1-[3-(2-quinolylmethoxy)benzyl]tetrazol-1-ium-1-yl]-1H-quinolin-6-yl] ester Formula: C29H23N6O4+ MolecularWeight: 519.53072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)NC(=O)C(=C2)[N+]3(C=NN=N3)CC4=CC(=CC=C4)OCC5=NC6=CC=CC=C6C=C5

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)NC(=O)C(=C2)[N+]3(C=NN=N3)CC4=CC(=CC=C4)OCC5=NC6=CC=CC=C6C=C5

InChI

InChI=1S/C29H22N6O4/c1-19(36)39-25-11-12-27-22(14-25)15-28(29(37)32-27)35(18-30-33-34-35)16-20-5-4-7-24(13-20)38-17-23-10-9-21-6-2-3-8-26(21)31-23/h2-15,18H,16-17H2,1H3/p+1