(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]-(phenylmethyl)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]-(phenylmethyl)azanium Openeye Name: benzyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-(1,1-dimethylpropyl)tetrazol-5-yl]propyl]ammonium CAS Name: (5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(1S)-1-[1-(2-methylbutan-2-yl)-5-tetrazolyl]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(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]-benzyl-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]ammonium Formula: C28H37N6O+ MolecularWeight: 473.63298

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H36N6O/c1-7-25(26-30-31-32-34(26)28(5,6)8-2)33(17-21-12-10-9-11-13-21)18-22-16-23-20(4)14-19(3)15-24(23)29-27(22)35/h9-16,25H,7-8,17-18H2,1-6H3,(H,29,35)/p+1/t25-/m0/s1