1,3-benzodioxol-5-ylmethyl-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-(2-methoxyethyl)-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-(2-methoxyethyl)-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-(2-methoxyethyl)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-(2-methoxyethyl)-5-tetrazolyl]propyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]azanium Traditional Name: (2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-piperonyl-ammonium Formula: C27H33N6O4+ MolecularWeight: 505.58872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1CCOC)[NH+](CC2=CC3=C(C=C2)OCO3)CC4=CC5=CC(=C(C=C5NC4=O)C)C

Isomeric SMILES

CC[C@@H](C1=NN=NN1CCOC)[NH+](CC2=CC3=C(C=C2)OCO3)CC4=CC5=CC(=C(C=C5NC4=O)C)C

InChI

InChI=1S/C27H32N6O4/c1-5-23(26-29-30-31-33(26)8-9-35-4)32(14-19-6-7-24-25(12-19)37-16-36-24)15-21-13-20-10-17(2)18(3)11-22(20)28-27(21)34/h6-7,10-13,23H,5,8-9,14-16H2,1-4H3,(H,28,34)/p+1/t23-/m0/s1