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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[2-(dimethylamino)-5,8-dimethoxy-quinolin-1-ium-3-yl]methyl]-2-ethyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[2-(dimethylamino)-5,8-dimethoxy-quinolin-1-ium-3-yl]methyl]-2-ethyl-butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[2-(dimethylamino)-5,8-dimethoxy-3-quinolin-1-iumyl]methyl]-2-ethylbutanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-1-ium-3-yl]methyl]-2-ethylbutanamide Traditional Name: N-[[2-(dimethylamino)-5,8-dimethoxy-quinolin-1-ium-3-yl]methyl]-2-ethyl-N-piperonyl-butyramide Formula: C28H36N3O5+ MolecularWeight: 494.60254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC4=C(C=CC(=C4[NH+]=C3N(C)C)OC)OC

Isomeric SMILES

CCC(CC)C(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC4=C(C=CC(=C4[NH+]=C3N(C)C)OC)OC

InChI

InChI=1S/C28H35N3O5/c1-7-19(8-2)28(32)31(15-18-9-10-23-25(13-18)36-17-35-23)16-20-14-21-22(33-5)11-12-24(34-6)26(21)29-27(20)30(3)4/h9-14,19H,7-8,15-17H2,1-6H3/p+1