1,3-benzodioxol-5-ylmethyl-[[1-(2-methoxyethyl)-6-methyl-2-oxidanylidene-quinolin-3-yl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[1-(2-methoxyethyl)-6-methyl-2-oxidanylidene-quinolin-3-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[1-(2-methoxyethyl)-6-methyl-2-oxo-3-quinolyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[1-(2-methoxyethyl)-6-methyl-2-oxo-3-quinolinyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[1-(2-methoxyethyl)-6-methyl-2-oxoquinolin-3-yl]methyl]azanium Traditional Name: [2-keto-1-(2-methoxyethyl)-6-methyl-3-quinolyl]methyl-piperonyl-ammonium Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(=C2)C[NH2+]CC3=CC4=C(C=C3)OCO4)CCOC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(=C2)C[NH2+]CC3=CC4=C(C=C3)OCO4)CCOC

InChI

InChI=1S/C22H24N2O4/c1-15-3-5-19-17(9-15)11-18(22(25)24(19)7-8-26-2)13-23-12-16-4-6-20-21(10-16)28-14-27-20/h3-6,9-11,23H,7-8,12-14H2,1-2H3/p+1