(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(2-methoxyphenyl)methyl]-[(1S)-1-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]propyl]azanium

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(2-methoxyphenyl)methyl]-[(1S)-1-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]propyl]azanium Openeye Name: (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(1S)-1-[1-(1,1-dimethylpropyl)tetrazol-5-yl]propyl]-[(2-methoxyphenyl)methyl]ammonium CAS Name: (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-methoxyphenyl)methyl]-[(1S)-1-[1-(2-methylbutan-2-yl)-5-tetrazolyl]propyl]ammonium IUPAC Name: (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-methoxyphenyl)methyl]-[(1S)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]azanium Traditional Name: [(1S)-1-(1-tert-amyltetrazol-5-yl)propyl]-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]-o-anisyl-ammonium Formula: C29H39N6O2+ MolecularWeight: 503.65896

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1C(C)(C)CC)[NH+](CC2=CC=CC=C2OC)CC3=CC4=CC(=C(C=C4NC3=O)C)C

Isomeric SMILES

CC[C@@H](C1=NN=NN1C(C)(C)CC)[NH+](CC2=CC=CC=C2OC)CC3=CC4=CC(=C(C=C4NC3=O)C)C

InChI

InChI=1S/C29H38N6O2/c1-8-25(27-31-32-33-35(27)29(5,6)9-2)34(17-21-12-10-11-13-26(21)37-7)18-23-16-22-14-19(3)20(4)15-24(22)30-28(23)36/h10-16,25H,8-9,17-18H2,1-7H3,(H,30,36)/p+1/t25-/m0/s1