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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(5,8-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium Traditional Name: homopiperonyl-[(2-keto-5,8-dimethoxy-1H-quinolin-3-yl)methyl]ammonium Formula: C21H23N2O5+ MolecularWeight: 383.41772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=C(C(=O)NC2=C(C=C1)OC)C[NH2+]CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C2C=C(C(=O)NC2=C(C=C1)OC)C[NH2+]CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O5/c1-25-16-5-6-18(26-2)20-15(16)10-14(21(24)23-20)11-22-8-7-13-3-4-17-19(9-13)28-12-27-17/h3-6,9-10,22H,7-8,11-12H2,1-2H3,(H,23,24)/p+1