1,3-benzodioxol-5-ylmethyl-[(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: 1,3-benzodioxol-5-ylmethyl-[(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: 1,3-benzodioxol-5-ylmethyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-(1,1-dimethylpropyl)tetrazol-5-yl]propyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-(2-methylbutan-2-yl)-5-tetrazolyl]propyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(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]-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]-piperonyl-ammonium Formula: C29H37N6O3+ MolecularWeight: 517.64248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1C(C)(C)CC)[NH+](CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C(C=C5NC4=O)C)C

Isomeric SMILES

CC[C@@H](C1=NN=NN1C(C)(C)CC)[NH+](CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C(C=C5NC4=O)C)C

InChI

InChI=1S/C29H36N6O3/c1-7-24(27-31-32-33-35(27)29(5,6)8-2)34(15-20-9-10-25-26(13-20)38-17-37-25)16-21-14-22-19(4)11-18(3)12-23(22)30-28(21)36/h9-14,24H,7-8,15-17H2,1-6H3,(H,30,36)/p+1/t24-/m0/s1