cyclopentyl-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]propyl]azanium

Systemtic Name: cyclopentyl-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]propyl]azanium Openeye Name: cyclopentyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-(1,1-dimethylpropyl)tetrazol-5-yl]propyl]ammonium CAS Name: cyclopentyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-(2-methylbutan-2-yl)-5-tetrazolyl]propyl]ammonium IUPAC Name: cyclopentyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]azanium Traditional Name: [(1S)-1-(1-tert-amyltetrazol-5-yl)propyl]-cyclopentyl-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]ammonium Formula: C26H39N6O+ MolecularWeight: 451.62746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1C(C)(C)CC)[NH+](CC2=CC3=C(C=C(C=C3NC2=O)C)C)C4CCCC4

Isomeric SMILES

CC[C@@H](C1=NN=NN1C(C)(C)CC)[NH+](CC2=CC3=C(C=C(C=C3NC2=O)C)C)C4CCCC4

InChI

InChI=1S/C26H38N6O/c1-7-23(24-28-29-30-32(24)26(5,6)8-2)31(20-11-9-10-12-20)16-19-15-21-18(4)13-17(3)14-22(21)27-25(19)33/h13-15,20,23H,7-12,16H2,1-6H3,(H,27,33)/p+1/t23-/m0/s1