N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-N-[(7-fluoranyl-2-morpholin-4-yl-quinolin-1-ium-3-yl)methyl]butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-N-[(7-fluoranyl-2-morpholin-4-yl-quinolin-1-ium-3-yl)methyl]butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-N-[(7-fluoro-2-morpholino-quinolin-1-ium-3-yl)methyl]butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-N-[[7-fluoro-2-(4-morpholinyl)-3-quinolin-1-iumyl]methyl]butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-N-[(7-fluoro-2-morpholin-4-ylquinolin-1-ium-3-yl)methyl]butanamide Traditional Name: 2-ethyl-N-[(7-fluoro-2-morpholino-quinolin-1-ium-3-yl)methyl]-N-piperonyl-butyramide Formula: C28H33FN3O4+ MolecularWeight: 494.577723

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=C([NH+]=C4C=C(C=CC4=C3)F)N5CCOCC5

Isomeric SMILES

CCC(CC)C(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=C([NH+]=C4C=C(C=CC4=C3)F)N5CCOCC5

InChI

InChI=1S/C28H32FN3O4/c1-3-20(4-2)28(33)32(16-19-5-8-25-26(13-19)36-18-35-25)17-22-14-21-6-7-23(29)15-24(21)30-27(22)31-9-11-34-12-10-31/h5-8,13-15,20H,3-4,9-12,16-18H2,1-2H3/p+1