1,3-benzodioxol-5-ylmethyl-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]azanium Traditional Name: (2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl-piperonyl-ammonium Formula: C20H21N2O3+ MolecularWeight: 337.39234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)C[NH2+]CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)C[NH2+]CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N2O3/c1-12-3-4-13(2)19-16(12)8-15(20(23)22-19)10-21-9-14-5-6-17-18(7-14)25-11-24-17/h3-8,21H,9-11H2,1-2H3,(H,22,23)/p+1