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

Systemtic Name: cyclohexyl-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-(2-methoxyethyl)-1,2,3,4-tetrazol-5-yl]propyl]azanium Openeye Name: cyclohexyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]ammonium CAS Name: cyclohexyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-(2-methoxyethyl)-5-tetrazolyl]propyl]ammonium IUPAC Name: cyclohexyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]azanium Traditional Name: cyclohexyl-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]ammonium Formula: C25H37N6O4+ MolecularWeight: 485.59908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1CCOC)[NH+](CC2=CC3=CC(=C(C=C3NC2=O)OC)OC)C4CCCCC4

Isomeric SMILES

CC[C@@H](C1=NN=NN1CCOC)[NH+](CC2=CC3=CC(=C(C=C3NC2=O)OC)OC)C4CCCCC4

InChI

InChI=1S/C25H36N6O4/c1-5-21(24-27-28-29-31(24)11-12-33-2)30(19-9-7-6-8-10-19)16-18-13-17-14-22(34-3)23(35-4)15-20(17)26-25(18)32/h13-15,19,21H,5-12,16H2,1-4H3,(H,26,32)/p+1/t21-/m0/s1