cyclohexyl-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-(2-ethoxy-2-oxidanylidene-ethyl)-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-(2-ethoxy-2-oxidanylidene-ethyl)-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-(2-ethoxy-2-oxo-ethyl)tetrazol-5-yl]propyl]ammonium CAS Name: cyclohexyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-(2-ethoxy-2-oxoethyl)-5-tetrazolyl]propyl]ammonium IUPAC Name: cyclohexyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-(2-ethoxy-2-oxoethyl)tetrazol-5-yl]propyl]azanium Traditional Name: cyclohexyl-[(1S)-1-[1-(2-ethoxy-2-keto-ethyl)tetrazol-5-yl]propyl]-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]ammonium Formula: C26H37N6O3+ MolecularWeight: 481.61038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1CC(=O)OCC)[NH+](CC2=CC3=CC(=C(C=C3NC2=O)C)C)C4CCCCC4

Isomeric SMILES

CC[C@@H](C1=NN=NN1CC(=O)OCC)[NH+](CC2=CC3=CC(=C(C=C3NC2=O)C)C)C4CCCCC4

InChI

InChI=1S/C26H36N6O3/c1-5-23(25-28-29-30-32(25)16-24(33)35-6-2)31(21-10-8-7-9-11-21)15-20-14-19-12-17(3)18(4)13-22(19)27-26(20)34/h12-14,21,23H,5-11,15-16H2,1-4H3,(H,27,34)/p+1/t23-/m0/s1