2-[1,3-benzodioxol-5-ylcarbonyl-[[5,8-dimethoxy-2-(4-methylphenyl)quinolin-3-yl]methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[1,3-benzodioxol-5-ylcarbonyl-[[5,8-dimethoxy-2-(4-methylphenyl)quinolin-3-yl]methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzodioxole-5-carbonyl-[[5,8-dimethoxy-2-(p-tolyl)-3-quinolyl]methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]-[[5,8-dimethoxy-2-(4-methylphenyl)-3-quinolinyl]methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzodioxole-5-carbonyl-[[5,8-dimethoxy-2-(4-methylphenyl)quinolin-3-yl]methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[5,8-dimethoxy-2-(p-tolyl)-3-quinolyl]methyl-piperonyloyl-amino]ethyl-dimethyl-ammonium Formula: C31H34N3O5+ MolecularWeight: 528.61876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C=C2CN(CC[NH+](C)C)C(=O)C4=CC5=C(C=C4)OCO5)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C=C2CN(CC[NH+](C)C)C(=O)C4=CC5=C(C=C4)OCO5)OC)OC

InChI

InChI=1S/C31H33N3O5/c1-20-6-8-21(9-7-20)29-23(16-24-25(36-4)12-13-27(37-5)30(24)32-29)18-34(15-14-33(2)3)31(35)22-10-11-26-28(17-22)39-19-38-26/h6-13,16-17H,14-15,18-19H2,1-5H3/p+1