N-(1,3-benzodioxol-5-ylmethyl)-N-[[2-(dimethylamino)-5,8-dimethoxy-quinolin-1-ium-3-yl]methyl]furan-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[2-(dimethylamino)-5,8-dimethoxy-quinolin-1-ium-3-yl]methyl]furan-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[2-(dimethylamino)-5,8-dimethoxy-quinolin-1-ium-3-yl]methyl]furan-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[2-(dimethylamino)-5,8-dimethoxy-3-quinolin-1-iumyl]methyl]-3-furancarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-1-ium-3-yl]methyl]furan-3-carboxamide Traditional Name: N-[[2-(dimethylamino)-5,8-dimethoxy-quinolin-1-ium-3-yl]methyl]-N-piperonyl-3-furamide Formula: C27H28N3O6+ MolecularWeight: 490.52772

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=[NH+]C2=C(C=CC(=C2C=C1CN(CC3=CC4=C(C=C3)OCO4)C(=O)C5=COC=C5)OC)OC

Isomeric SMILES

CN(C)C1=[NH+]C2=C(C=CC(=C2C=C1CN(CC3=CC4=C(C=C3)OCO4)C(=O)C5=COC=C5)OC)OC

InChI

InChI=1S/C27H27N3O6/c1-29(2)26-19(12-20-21(32-3)7-8-23(33-4)25(20)28-26)14-30(27(31)18-9-10-34-15-18)13-17-5-6-22-24(11-17)36-16-35-22/h5-12,15H,13-14,16H2,1-4H3/p+1