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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-[[(2S)-oxolan-2-yl]methyl]-1,2,3,4-tetrazol-5-yl]propyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]propyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-[[(2S)-2-oxolanyl]methyl]-5-tetrazolyl]propyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]azanium Traditional Name: (2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl-piperonyl-[(1S)-1-[1-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]propyl]ammonium Formula: C29H35N6O4+ MolecularWeight: 531.626

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1CC2CCCO2)[NH+](CC3=CC4=C(C=C3)OCO4)CC5=CC6=CC(=C(C=C6NC5=O)C)C

Isomeric SMILES

CC[C@@H](C1=NN=NN1C[C@@H]2CCCO2)[NH+](CC3=CC4=C(C=C3)OCO4)CC5=CC6=CC(=C(C=C6NC5=O)C)C

InChI

InChI=1S/C29H34N6O4/c1-4-25(28-31-32-33-35(28)16-23-6-5-9-37-23)34(14-20-7-8-26-27(12-20)39-17-38-26)15-22-13-21-10-18(2)19(3)11-24(21)30-29(22)36/h7-8,10-13,23,25H,4-6,9,14-17H2,1-3H3,(H,30,36)/p+1/t23-,25-/m0/s1