(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]-(pyridin-3-ylmethyl)azanium

Systemtic Name: (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]-(pyridin-3-ylmethyl)azanium Openeye Name: (5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(1S)-1-[1-(1,1-dimethylpropyl)tetrazol-5-yl]propyl]-(3-pyridylmethyl)ammonium CAS Name: (5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(1S)-1-[1-(2-methylbutan-2-yl)-5-tetrazolyl]propyl]-(3-pyridinylmethyl)ammonium IUPAC Name: (5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(1S)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(1S)-1-(1-tert-amyltetrazol-5-yl)propyl]-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]-(3-pyridylmethyl)ammonium Formula: C27H36N7O+ MolecularWeight: 474.62104

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1C(C)(C)CC)[NH+](CC2=CN=CC=C2)CC3=CC4=C(C=C(C=C4NC3=O)C)C

Isomeric SMILES

CC[C@@H](C1=NN=NN1C(C)(C)CC)[NH+](CC2=CN=CC=C2)CC3=CC4=C(C=C(C=C4NC3=O)C)C

InChI

InChI=1S/C27H35N7O/c1-7-24(25-30-31-32-34(25)27(5,6)8-2)33(16-20-10-9-11-28-15-20)17-21-14-22-19(4)12-18(3)13-23(22)29-26(21)35/h9-15,24H,7-8,16-17H2,1-6H3,(H,29,35)/p+1/t24-/m0/s1